CID 58449

Phenethyl n-(2-(dimethylamino)ethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CN(C)CCNC(=O)OCCC1=CC=CC=C1
InChI
InChI=1S/C13H20N2O2/c1-15(2)10-9-14-13(16)17-11-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,14,16)
InChIKey
BVMZVXFQSOSJGX-UHFFFAOYSA-N
Compound name
2-phenylethyl N-[2-(dimethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 156.6
[M+Na]+ 259.141698 160.8
[M-H]- 235.145204 160.9
[M+NH4]+ 254.186303 174.2
[M+K]+ 275.115638 160.1
[M+H-H2O]+ 219.149740 148.9
[M+HCOO]- 281.150681 182.1
[M+CH3COO]- 295.166331 199.3
[M+Na-2H]- 257.127146 161.2
[M]+ 236.15193142 159.1
[M]- 236.15302858 159.1
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

No patent data available for this compound.