CID 10764

Dibutoline sulfate

Structural Information

Molecular Formula
C15H33N2O2
SMILES
CCCCN(CCCC)C(=O)OCC[N+](C)(C)CC
InChI
InChI=1S/C15H33N2O2/c1-6-9-11-16(12-10-7-2)15(18)19-14-13-17(4,5)8-3/h6-14H2,1-5H3/q+1
InChIKey
SDEXVKFYBBHUKN-UHFFFAOYSA-N
Compound name
2-(dibutylcarbamoyloxy)ethyl-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

299
Patents

273.2542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.26148 170.1
[M+Na]+ 296.24342 173.2
[M-H]- 272.24692 172.3
[M+NH4]+ 291.28802 187.5
[M+K]+ 312.21736 168.3
[M+H-H2O]+ 256.25146 166.4
[M+HCOO]- 318.25240 192.8
[M+CH3COO]- 332.26805 206.1
[M+Na-2H]- 294.22887 174.7
[M]+ 273.25365 175.4
[M]- 273.25475 175.4
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.