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

33
Patents

291.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 167.8
[M+Na]+ 314.136278 169.8
[M-H]- 290.139784 171.6
[M+NH4]+ 309.180883 181.3
[M+K]+ 330.110218 167.4
[M+H-H2O]+ 274.144320 159.8
[M+HCOO]- 336.145261 185.9
[M+CH3COO]- 350.160911 199.8
[M+Na-2H]- 312.121726 168.7
[M]+ 291.14651142 164.0
[M]- 291.14760858 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

patents stripe