CID 16212633

155863-36-8

Structural Information

Molecular Formula
C7H9NO5S
SMILES
CS(=O)(=O)OCCN1C(=O)C=CC1=O
InChI
InChI=1S/C7H9NO5S/c1-14(11,12)13-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3
InChIKey
PMKKIDFHWBBGDA-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrol-1-yl)ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1382
Patents

219.02014 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.02742 147.4
[M+Na]+ 242.00936 155.9
[M+NH4]+ 237.05396 152.6
[M+K]+ 257.98330 152.7
[M-H]- 218.01286 144.8
[M+Na-2H]- 239.99481 148.8
[M]+ 219.01959 147.9
[M]- 219.02069 147.9
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