CID 177800026

1-methanesulfonyl-2,2-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O4S
SMILES
CC1(CC1(C(=O)O)S(=O)(=O)C)C
InChI
InChI=1S/C7H12O4S/c1-6(2)4-7(6,5(8)9)12(3,10)11/h4H2,1-3H3,(H,8,9)
InChIKey
OQFUDNGNPSASCP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-methylsulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04562 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05290 135.3
[M+Na]+ 215.03484 145.6
[M-H]- 191.03834 139.2
[M+NH4]+ 210.07944 153.5
[M+K]+ 231.00878 144.5
[M+H-H2O]+ 175.04288 133.3
[M+HCOO]- 237.04382 150.2
[M+CH3COO]- 251.05947 180.4
[M+Na-2H]- 213.02029 141.0
[M]+ 192.04507 142.4
[M]- 192.04617 142.4
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.