CID 86662544

83623-32-9

Structural Information

Molecular Formula
C13H27N2O4S
SMILES
CC(=C)C(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)O
InChI
InChI=1S/C13H26N2O4S/c1-12(2)13(16)14-8-7-10-15(3,4)9-5-6-11-20(17,18)19/h1,5-11H2,2-4H3,(H-,14,16,17,18,19)/p+1
InChIKey
YVECQSLRWYXZTR-UHFFFAOYSA-O
Compound name
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(4-sulfobutyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

307.16916 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17644 170.0
[M+Na]+ 330.15838 175.9
[M+NH4]+ 325.20298 174.6
[M+K]+ 346.13232 172.5
[M-H]- 306.16188 167.9
[M+Na-2H]- 328.14383 170.2
[M]+ 307.16861 170.5
[M]- 307.16971 170.5
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