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

1010
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 161.9
[M+Na]+ 302.12707 168.6
[M+NH4]+ 297.17167 167.1
[M+K]+ 318.10101 164.8
[M-H]- 278.13057 160.2
[M+Na-2H]- 300.11252 162.9
[M]+ 279.13730 162.7
[M]- 279.13840 162.7
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

patents stripe