CID 58426

Benzyl n-(2-(diethylamino)ethyl)carbamate hydrochloride

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCN(CC)CCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C14H22N2O2/c1-3-16(4-2)11-10-15-14(17)18-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,15,17)
InChIKey
FVQQSDCTUMYDPV-UHFFFAOYSA-N
Compound name
benzyl N-[2-(diethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.3
[M+Na]+ 273.15734 164.9
[M-H]- 249.16084 165.3
[M+NH4]+ 268.20194 178.3
[M+K]+ 289.13128 164.1
[M+H-H2O]+ 233.16538 153.3
[M+HCOO]- 295.16632 186.3
[M+CH3COO]- 309.18197 202.3
[M+Na-2H]- 271.14279 165.3
[M]+ 250.16757 164.0
[M]- 250.16867 164.0
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