CID 23584443

1259278-10-8

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1C[C@H](C[C@H](C1)NC(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c17-14(18)12-7-4-8-13(9-12)16-15(19)20-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,19)(H,17,18)/t12-,13+/m1/s1
InChIKey
LTEORMGXUMWZCU-OLZOCXBDSA-N
Compound name
(1R,3S)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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 164.5
[M+Na]+ 300.12062 173.5
[M+NH4]+ 295.16522 170.8
[M+K]+ 316.09456 168.6
[M-H]- 276.12412 166.8
[M+Na-2H]- 298.10607 169.4
[M]+ 277.13085 166.0
[M]- 277.13195 166.0
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