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]+ 209.12847 147.0
[M+Na]+ 231.11041 153.0
[M-H]- 207.11391 152.1
[M+NH4]+ 226.15501 166.1
[M+K]+ 247.08435 152.9
[M+H-H2O]+ 191.11845 140.0
[M+HCOO]- 253.11939 173.2
[M+CH3COO]- 267.13504 194.5
[M+Na-2H]- 229.09586 152.0
[M]+ 208.12064 149.1
[M]- 208.12174 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.