CID 46606

Carbamic acid, methyl-, 3-(2-(trimethylammonio)propyl)phenyl ester, iodide

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CC(CC1=CC(=CC=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C14H22N2O2/c1-11(16(3,4)5)9-12-7-6-8-13(10-12)18-14(17)15-2/h6-8,10-11H,9H2,1-5H3/p+1
InChIKey
QQYBWFSYHSPEOG-UHFFFAOYSA-O
Compound name
trimethyl-[1-[3-(methylcarbamoyloxy)phenyl]propan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17595 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.183226 157.8
[M+Na]+ 274.165168 162.8
[M-H]- 250.168674 162.9
[M+NH4]+ 269.209773 175.3
[M+K]+ 290.139108 156.7
[M+H-H2O]+ 234.173210 154.0
[M+HCOO]- 296.174151 180.9
[M+CH3COO]- 310.189801 196.7
[M+Na-2H]- 272.150616 164.6
[M]+ 251.17540142 158.8
[M]- 251.17649858 158.8
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.