CID 16234

Dibutylcarbamic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H32N2O2
SMILES
CCCCN(CCCC)C(=O)OCCN(CC)CC
InChI
InChI=1S/C15H32N2O2/c1-5-9-11-17(12-10-6-2)15(18)19-14-13-16(7-3)8-4/h5-14H2,1-4H3
InChIKey
YCBRLJXHPJHQCH-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N,N-dibutylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.24637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25365 174.4
[M+Na]+ 295.23559 176.6
[M-H]- 271.23909 176.0
[M+NH4]+ 290.28019 191.5
[M+K]+ 311.20953 177.6
[M+H-H2O]+ 255.24363 166.8
[M+HCOO]- 317.24457 197.9
[M+CH3COO]- 331.26022 213.6
[M+Na-2H]- 293.22104 174.2
[M]+ 272.24582 181.3
[M]- 272.24692 181.3
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.