CID 18978086

Benzyl n-methyl-n-[2-(methylamino)ethyl]carbamate

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CNCCN(C)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H18N2O2/c1-13-8-9-14(2)12(15)16-10-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKey
QTLVLLWKMZINAR-UHFFFAOYSA-N
Compound name
benzyl N-methyl-N-[2-(methylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

222.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 152.0
[M+Na]+ 245.126048 156.6
[M-H]- 221.129554 156.4
[M+NH4]+ 240.170653 170.2
[M+K]+ 261.099988 156.2
[M+H-H2O]+ 205.134090 144.5
[M+HCOO]- 267.135031 177.8
[M+CH3COO]- 281.150681 196.3
[M+Na-2H]- 243.111496 157.1
[M]+ 222.13628142 154.1
[M]- 222.13737858 154.1
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