CID 46099

Carbamic acid, methyl-, 2-(alpha-(dimethylamino)ethyl)-p-tolyl ester, hydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC1=CC(=C(C=C1)OC(=O)NC)C(C)N(C)C
InChI
InChI=1S/C13H20N2O2/c1-9-6-7-12(17-13(16)14-3)11(8-9)10(2)15(4)5/h6-8,10H,1-5H3,(H,14,16)
InChIKey
UQRNZBZTVROILU-UHFFFAOYSA-N
Compound name
[2-[1-(dimethylamino)ethyl]-4-methylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.2
[M+Na]+ 259.141698 162.0
[M-H]- 235.145204 161.4
[M+NH4]+ 254.186303 174.4
[M+K]+ 275.115638 162.0
[M+H-H2O]+ 219.149740 149.2
[M+HCOO]- 281.150681 180.6
[M+CH3COO]- 295.166331 202.7
[M+Na-2H]- 257.127146 158.1
[M]+ 236.15193142 158.8
[M]- 236.15302858 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.