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

1023
Patents

279.13785 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14513 159.1
[M+Na]+ 302.12707 163.3
[M-H]- 278.13057 158.8
[M+NH4]+ 297.17167 174.6
[M+K]+ 318.10101 155.4
[M+H-H2O]+ 262.13511 156.0
[M+HCOO]- 324.13605 174.8
[M+CH3COO]- 338.15170 193.5
[M+Na-2H]- 300.11252 165.0
[M]+ 279.13730 161.4
[M]- 279.13840 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