CID 2756094

Fmoc-4-amino-tetrahydropyran-4-carboxylic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1COCCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c23-19(24)21(9-11-26-12-10-21)22-20(25)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChIKey
FBTUQOKQROVXAO-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

367.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 184.2
[M+Na]+ 390.13119 188.3
[M-H]- 366.13469 190.9
[M+NH4]+ 385.17579 199.0
[M+K]+ 406.10513 185.7
[M+H-H2O]+ 350.13923 176.6
[M+HCOO]- 412.14017 199.8
[M+CH3COO]- 426.15582 213.6
[M+Na-2H]- 388.11664 187.5
[M]+ 367.14142 183.2
[M]- 367.14252 183.2
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