CID 12835610

51928-41-7

Structural Information

Molecular Formula
C5H12O2S
SMILES
CC(C)(C)CS(=O)O
InChI
InChI=1S/C5H12O2S/c1-5(2,3)4-8(6)7/h4H2,1-3H3,(H,6,7)
InChIKey
BCXKEVMIYDMGOP-UHFFFAOYSA-N
Compound name
2,2-dimethylpropane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

136.0558 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.06308 127.2
[M+Na]+ 159.04502 134.8
[M-H]- 135.04852 126.7
[M+NH4]+ 154.08962 149.1
[M+K]+ 175.01896 133.9
[M+H-H2O]+ 119.05306 123.4
[M+HCOO]- 181.05400 142.4
[M+CH3COO]- 195.06965 168.9
[M+Na-2H]- 157.03047 130.2
[M]+ 136.05525 129.2
[M]- 136.05635 129.2
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.