CID 20578

Carbamic acid, phenyl-, 2-(trimethylammonio)ethyl ester, iodide

Structural Information

Molecular Formula
C12H19N2O2
SMILES
C[N+](C)(C)CCOC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H18N2O2/c1-14(2,3)9-10-16-12(15)13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/p+1
InChIKey
VPIVWSHBGIHIJD-UHFFFAOYSA-O
Compound name
trimethyl-[2-(phenylcarbamoyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14465 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.151926 149.2
[M+Na]+ 246.133868 154.4
[M-H]- 222.137374 154.1
[M+NH4]+ 241.178473 167.5
[M+K]+ 262.107808 148.2
[M+H-H2O]+ 206.141910 145.4
[M+HCOO]- 268.142851 174.0
[M+CH3COO]- 282.158501 188.7
[M+Na-2H]- 244.119316 158.8
[M]+ 223.14410142 149.7
[M]- 223.14519858 149.7
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.