CID 62474538

1-methanesulfonylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O4S
SMILES
CS(=O)(=O)C1(CCC1)C(=O)O
InChI
InChI=1S/C6H10O4S/c1-11(9,10)6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)
InChIKey
FJXJEGTTZDOFOK-UHFFFAOYSA-N
Compound name
1-methylsulfonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.02998 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037256 132.4
[M+Na]+ 201.019198 137.6
[M-H]- 177.022704 134.5
[M+NH4]+ 196.063803 146.9
[M+K]+ 216.993138 139.7
[M+H-H2O]+ 161.027240 123.4
[M+HCOO]- 223.028181 146.2
[M+CH3COO]- 237.043831 176.1
[M+Na-2H]- 199.004646 136.3
[M]+ 178.02943142 142.2
[M]- 178.03052858 142.2
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

patents stripe