CID 3021372

88992-91-0

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

716
Patents

266.10623 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.113506 154.9
[M+Na]+ 289.095448 160.4
[M-H]- 265.098954 155.1
[M+NH4]+ 284.140053 171.4
[M+K]+ 305.069388 153.3
[M+H-H2O]+ 249.103490 152.4
[M+HCOO]- 311.104431 170.4
[M+CH3COO]- 325.120081 187.6
[M+Na-2H]- 287.080896 161.0
[M]+ 266.10568142 159.3
[M]- 266.10677858 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