CID 20611890

55866-85-8

Structural Information

Molecular Formula
C5H10O5S
SMILES
C=CCOCCOS(=O)(=O)O
InChI
InChI=1S/C5H10O5S/c1-2-3-9-4-5-10-11(6,7)8/h2H,1,3-5H2,(H,6,7,8)
InChIKey
UBRXRXNNNOXTEJ-UHFFFAOYSA-N
Compound name
2-prop-2-enoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3042
Patents

182.02489 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03217 134.4
[M+Na]+ 205.01411 142.3
[M-H]- 181.01761 133.6
[M+NH4]+ 200.05871 154.0
[M+K]+ 220.98805 141.0
[M+H-H2O]+ 165.02215 129.9
[M+HCOO]- 227.02309 151.8
[M+CH3COO]- 241.03874 173.1
[M+Na-2H]- 202.99956 139.0
[M]+ 182.02434 140.1
[M]- 182.02544 140.1
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