CID 49104

Dimethylcarbamic acid 2-(aminomethyl)phenyl ester hydrochloride

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CN(C)C(=O)OC1=CC=CC=C1CN
InChI
InChI=1S/C10H14N2O2/c1-12(2)10(13)14-9-6-4-3-5-8(9)7-11/h3-6H,7,11H2,1-2H3
InChIKey
LLRSCVNRKDXMQK-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.9
[M+Na]+ 217.09475 149.3
[M-H]- 193.09825 147.6
[M+NH4]+ 212.13935 162.3
[M+K]+ 233.06869 149.1
[M+H-H2O]+ 177.10279 136.1
[M+HCOO]- 239.10373 168.7
[M+CH3COO]- 253.11938 190.8
[M+Na-2H]- 215.08020 147.3
[M]+ 194.10498 143.6
[M]- 194.10608 143.6
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.