CID 3021372

Einecs 289-459-8

Structural Information

Molecular Formula
C10H20NO5S
SMILES
C[N+](C)(CCCS(=O)(=O)O)CCOC(=O)C=C
InChI
InChI=1S/C10H19NO5S/c1-4-10(12)16-8-7-11(2,3)6-5-9-17(13,14)15/h4H,1,5-9H2,2-3H3/p+1
InChIKey
ZQRNRKASNNVFAJ-UHFFFAOYSA-O
Compound name
dimethyl-(2-prop-2-enoyloxyethyl)-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

757
Patents

266.10623 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11351 154.9
[M+Na]+ 289.09545 160.4
[M-H]- 265.09895 155.1
[M+NH4]+ 284.14005 171.4
[M+K]+ 305.06939 153.3
[M+H-H2O]+ 249.10349 152.4
[M+HCOO]- 311.10443 170.4
[M+CH3COO]- 325.12008 187.6
[M+Na-2H]- 287.08090 161.0
[M]+ 266.10568 159.3
[M]- 266.10678 159.3
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