CID 23645310

[3-[1-(dimethylamino)ethyl]phenyl] n,n-dimethylcarbamate

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C1=CC(=CC=C1)OC(=O)N(C)C)N(C)C
InChI
InChI=1S/C13H20N2O2/c1-10(14(2)3)11-7-6-8-12(9-11)17-13(16)15(4)5/h6-10H,1-5H3
InChIKey
AIHREYCBCYOMLZ-UHFFFAOYSA-N
Compound name
[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

236.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.3
[M+Na]+ 259.141698 161.4
[M-H]- 235.145204 162.6
[M+NH4]+ 254.186303 174.9
[M+K]+ 275.115638 162.8
[M+H-H2O]+ 219.149740 149.0
[M+HCOO]- 281.150681 181.3
[M+CH3COO]- 295.166331 205.0
[M+Na-2H]- 257.127146 158.3
[M]+ 236.15193142 159.9
[M]- 236.15302858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe