CID 46604

Carbamic acid, methyl-, 2-(trimethylammoniomethyl)-p-tolyl ester, iodide

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CC1=CC(=C(C=C1)OC(=O)NC)C[N+](C)(C)C
InChI
InChI=1S/C13H20N2O2/c1-10-6-7-12(17-13(16)14-2)11(8-10)9-15(3,4)5/h6-8H,9H2,1-5H3/p+1
InChIKey
QCLLVQLUBRZPBK-UHFFFAOYSA-O
Compound name
trimethyl-[[5-methyl-2-(methylcarbamoyloxy)phenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.167586 152.7
[M+Na]+ 260.149528 159.3
[M-H]- 236.153034 158.2
[M+NH4]+ 255.194133 171.1
[M+K]+ 276.123468 153.0
[M+H-H2O]+ 220.157570 149.2
[M+HCOO]- 282.158511 177.1
[M+CH3COO]- 296.174161 194.0
[M+Na-2H]- 258.134976 160.5
[M]+ 237.15976142 154.3
[M]- 237.16085858 154.3
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.