CID 45489696

1228542-19-5

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CCCCCC1)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)10-8-6-4-5-7-9-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
ADXRJYZTIHABDG-NSHDSACASA-N
Compound name
(2S)-2-cycloheptyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

271.17834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 161.4
[M+Na]+ 294.16756 165.0
[M+NH4]+ 289.21216 165.6
[M+K]+ 310.14150 164.5
[M-H]- 270.17106 159.7
[M+Na-2H]- 292.15301 162.3
[M]+ 271.17779 160.9
[M]- 271.17889 160.9
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

patents stripe