CID 122155746

Fmoc-cycloheptyl-ala-oh

Structural Information

Molecular Formula
C25H29NO4
SMILES
C1CCCC(CC1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c27-24(28)23(15-17-9-3-1-2-4-10-17)26-25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,17,22-23H,1-4,9-10,15-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
QLVAHIRRBVTTMP-QHCPKHFHSA-N
Compound name
(2S)-3-cycloheptyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.216936 198.0
[M+Na]+ 430.198878 198.3
[M-H]- 406.202384 204.6
[M+NH4]+ 425.243483 209.8
[M+K]+ 446.172818 198.0
[M+H-H2O]+ 390.206920 191.8
[M+HCOO]- 452.207861 212.0
[M+CH3COO]- 466.223511 223.3
[M+Na-2H]- 428.184326 196.1
[M]+ 407.20911142 192.6
[M]- 407.21020858 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.