CID 62474537

1-methanesulfonylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C5H8O4S
SMILES
CS(=O)(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C5H8O4S/c1-10(8,9)5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
SSESRMFTJIQDNB-UHFFFAOYSA-N
Compound name
1-methylsulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

164.01433 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.021606 129.4
[M+Na]+ 187.003548 139.3
[M-H]- 163.007054 133.2
[M+NH4]+ 182.048153 146.6
[M+K]+ 202.977488 137.6
[M+H-H2O]+ 147.011590 125.8
[M+HCOO]- 209.012531 145.5
[M+CH3COO]- 223.028181 173.7
[M+Na-2H]- 184.988996 134.9
[M]+ 164.01378142 134.8
[M]- 164.01487858 134.8
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