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

61
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 152.0
[M+Na]+ 245.12605 156.6
[M-H]- 221.12955 156.4
[M+NH4]+ 240.17065 170.2
[M+K]+ 261.09999 156.2
[M+H-H2O]+ 205.13409 144.5
[M+HCOO]- 267.13503 177.8
[M+CH3COO]- 281.15068 196.3
[M+Na-2H]- 243.11150 157.1
[M]+ 222.13628 154.1
[M]- 222.13738 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