CID 46095

Carbamic acid, methyl-, 3-(2-(dimethylamino)ethyl)phenyl ester, hydrochloride

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CNC(=O)OC1=CC=CC(=C1)CCN(C)C
InChI
InChI=1S/C12H18N2O2/c1-13-12(15)16-11-6-4-5-10(9-11)7-8-14(2)3/h4-6,9H,7-8H2,1-3H3,(H,13,15)
InChIKey
RYKVVQWJKCHWKC-UHFFFAOYSA-N
Compound name
[3-[2-(dimethylamino)ethyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.7
[M+Na]+ 245.12605 157.3
[M-H]- 221.12955 156.6
[M+NH4]+ 240.17065 170.2
[M+K]+ 261.09999 156.9
[M+H-H2O]+ 205.13409 144.5
[M+HCOO]- 267.13503 177.5
[M+CH3COO]- 281.15068 197.5
[M+Na-2H]- 243.11150 156.1
[M]+ 222.13628 154.2
[M]- 222.13738 154.2
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

patents stripe