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

744
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 157.7
[M+Na]+ 289.09545 165.4
[M+NH4]+ 284.14005 162.9
[M+K]+ 305.06939 161.9
[M-H]- 265.09895 155.2
[M+Na-2H]- 287.08090 158.7
[M]+ 266.10568 158.4
[M]- 266.10678 158.4
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