CID 45972

Carbamic acid, methyl-, (2-cyclohexyl-5-(trimethylammonio)phenyl) ester, iodide

Structural Information

Molecular Formula
C17H27N2O2
SMILES
CNC(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)C2CCCCC2
InChI
InChI=1S/C17H26N2O2/c1-18-17(20)21-16-12-14(19(2,3)4)10-11-15(16)13-8-6-5-7-9-13/h10-13H,5-9H2,1-4H3/p+1
InChIKey
CQCOTSHIMDHGBL-UHFFFAOYSA-O
Compound name
[4-cyclohexyl-3-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.20724 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21452 168.6
[M+Na]+ 314.19646 180.6
[M+NH4]+ 309.24106 177.6
[M+K]+ 330.17040 175.0
[M-H]- 290.19996 175.0
[M+Na-2H]- 312.18191 176.3
[M]+ 291.20669 172.4
[M]- 291.20779 172.4
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.