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]+ 237.15976 156.6
[M+Na]+ 259.14170 160.8
[M-H]- 235.14520 160.9
[M+NH4]+ 254.18630 174.2
[M+K]+ 275.11564 160.1
[M+H-H2O]+ 219.14974 148.9
[M+HCOO]- 281.15068 182.1
[M+CH3COO]- 295.16633 199.3
[M+Na-2H]- 257.12715 161.2
[M]+ 236.15193 159.1
[M]- 236.15303 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.