CID 46964

Carbamic acid, methyl-, 4-(trimethylammonio)benzyl ester, chloride

Structural Information

Molecular Formula
C12H19N2O2
SMILES
CNC(=O)OCC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C12H18N2O2/c1-13-12(15)16-9-10-5-7-11(8-6-10)14(2,3)4/h5-8H,9H2,1-4H3/p+1
InChIKey
UURGYDLWSSFFAI-UHFFFAOYSA-O
Compound name
trimethyl-[4-(methylcarbamoyloxymethyl)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15193 148.6
[M+Na]+ 246.13387 154.7
[M-H]- 222.13737 154.0
[M+NH4]+ 241.17847 167.3
[M+K]+ 262.10781 148.6
[M+H-H2O]+ 206.14191 145.1
[M+HCOO]- 268.14285 173.4
[M+CH3COO]- 282.15850 189.8
[M+Na-2H]- 244.11932 157.6
[M]+ 223.14410 149.5
[M]- 223.14520 149.5
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.