CID 459588

10-pyridin-1-ium-1-yldecyl hydrogen sulfate

Structural Information

Molecular Formula
C15H26NO4S
SMILES
C1=CC=[N+](C=C1)CCCCCCCCCCOS(=O)(=O)O
InChI
InChI=1S/C15H25NO4S/c17-21(18,19)20-15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2/p+1
InChIKey
KEKZGKLWEBOIOI-UHFFFAOYSA-O
Compound name
10-pyridin-1-ium-1-yldecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.15826 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16554 174.9
[M+Na]+ 339.14748 179.6
[M-H]- 315.15098 175.0
[M+NH4]+ 334.19208 187.4
[M+K]+ 355.12142 169.9
[M+H-H2O]+ 299.15552 169.9
[M+HCOO]- 361.15646 188.9
[M+CH3COO]- 375.17211 192.9
[M+Na-2H]- 337.13293 179.9
[M]+ 316.15771 179.7
[M]- 316.15881 179.7
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.