CID 285247

34771-04-5

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1CC(CCC1C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c17-14(18)12-6-8-13(9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)
InChIKey
ZVMICQYOGWAOSU-UHFFFAOYSA-N
Compound name
4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

215
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.3
[M+Na]+ 300.12062 165.8
[M-H]- 276.12412 167.3
[M+NH4]+ 295.16522 177.4
[M+K]+ 316.09456 163.6
[M+H-H2O]+ 260.12866 155.5
[M+HCOO]- 322.12960 181.7
[M+CH3COO]- 336.14525 196.8
[M+Na-2H]- 298.10607 164.8
[M]+ 277.13085 159.1
[M]- 277.13195 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe