CID 46115

Methylurethane of m-hydroxybenzyldimethylamine hydrochloride

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CNC(=O)OC1=CC=CC(=C1)CN(C)C
InChI
InChI=1S/C11H16N2O2/c1-12-11(14)15-10-6-4-5-9(7-10)8-13(2)3/h4-7H,8H2,1-3H3,(H,12,14)
InChIKey
BSTOIHVNHUQFRS-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 147.0
[M+Na]+ 231.110408 153.0
[M-H]- 207.113914 152.1
[M+NH4]+ 226.155013 166.1
[M+K]+ 247.084348 152.9
[M+H-H2O]+ 191.118450 140.0
[M+HCOO]- 253.119391 173.2
[M+CH3COO]- 267.135041 194.5
[M+Na-2H]- 229.095856 152.0
[M]+ 208.12064142 149.2
[M]- 208.12173858 149.2
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.