CID 68735883

1-(ethylsulfonyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C6H10O4S
SMILES
CCS(=O)(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C6H10O4S/c1-2-11(9,10)6(3-4-6)5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey
SNJDPFYHFZQBEM-UHFFFAOYSA-N
Compound name
1-ethylsulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.02998 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03726 133.5
[M+Na]+ 201.01920 142.9
[M-H]- 177.02270 137.1
[M+NH4]+ 196.06380 150.2
[M+K]+ 216.99314 141.1
[M+H-H2O]+ 161.02724 129.7
[M+HCOO]- 223.02818 149.2
[M+CH3COO]- 237.04383 176.6
[M+Na-2H]- 199.00465 138.5
[M]+ 178.02943 139.2
[M]- 178.03053 139.2
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

No patent data available for this compound.