CID 46616

Carbamic acid, methyl-, 3-(trimethylammonio)-p-tolyl ester, iodide

Structural Information

Molecular Formula
C12H19N2O2
SMILES
CC1=C(C=C(C=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C12H18N2O2/c1-9-6-7-10(16-12(15)13-2)8-11(9)14(3,4)5/h6-8H,1-5H3/p+1
InChIKey
HDIRQKHYFVZDIR-UHFFFAOYSA-O
Compound name
trimethyl-[2-methyl-5-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14465 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15193 148.8
[M+Na]+ 246.13387 161.8
[M+NH4]+ 241.17847 157.6
[M+K]+ 262.10781 157.1
[M-H]- 222.13737 153.1
[M+Na-2H]- 244.11932 156.2
[M]+ 223.14410 152.2
[M]- 223.14520 152.2
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.