CID 11173503

80293-60-3

Structural Information

Molecular Formula
C11H23N2O4S
SMILES
C[N+](C)(CCCNC(=O)C=C)CCCS(=O)(=O)O
InChI
InChI=1S/C11H22N2O4S/c1-4-11(14)12-7-5-8-13(2,3)9-6-10-18(15,16)17/h4H,1,5-10H2,2-3H3,(H-,12,14,15,16,17)/p+1
InChIKey
KVKJQOXYGGPBIW-UHFFFAOYSA-O
Compound name
dimethyl-[3-(prop-2-enoylamino)propyl]-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1029
Patents

279.13785 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.145126 159.1
[M+Na]+ 302.127068 163.3
[M-H]- 278.130574 158.8
[M+NH4]+ 297.171673 174.6
[M+K]+ 318.101008 155.4
[M+H-H2O]+ 262.135110 156.0
[M+HCOO]- 324.136051 174.8
[M+CH3COO]- 338.151701 193.5
[M+Na-2H]- 300.112516 165.0
[M]+ 279.13730142 161.4
[M]- 279.13839858 161.4
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

patents stripe