CID 774388

Cis-hexahydro-n-(4-methoxyphenyl)phthalamic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
COC1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O
InChI
InChI=1S/C15H19NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h6-9,12-13H,2-5H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
InChIKey
TWEPEGQCRSXENU-QWHCGFSZSA-N
Compound name
(1R,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.9
[M+Na]+ 300.12062 173.3
[M+NH4]+ 295.16522 170.2
[M+K]+ 316.09456 168.6
[M-H]- 276.12412 166.3
[M+Na-2H]- 298.10607 168.6
[M]+ 277.13085 165.5
[M]- 277.13195 165.5
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.