CID 51341838

Z-1,4-cis-acha-oh

Structural Information

Molecular Formula
C16H21NO4
SMILES
C1CC(CCC1CC(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c18-15(19)10-12-6-8-14(9-7-12)17-16(20)21-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,20)(H,18,19)
InChIKey
GKNYYSXDGOGFJC-UHFFFAOYSA-N
Compound name
2-[4-(phenylmethoxycarbonylamino)cyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

291.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 167.8
[M+Na]+ 314.13628 169.8
[M-H]- 290.13978 171.6
[M+NH4]+ 309.18088 181.3
[M+K]+ 330.11022 167.4
[M+H-H2O]+ 274.14432 159.8
[M+HCOO]- 336.14526 185.9
[M+CH3COO]- 350.16091 199.8
[M+Na-2H]- 312.12173 168.7
[M]+ 291.14651 164.0
[M]- 291.14761 164.0
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

No patent data available for this compound.