CID 119031003

2-(1-methanesulfonylcyclopropyl)propan-2-ol

Structural Information

Molecular Formula
C7H14O3S
SMILES
CC(C)(C1(CC1)S(=O)(=O)C)O
InChI
InChI=1S/C7H14O3S/c1-6(2,8)7(4-5-7)11(3,9)10/h8H,4-5H2,1-3H3
InChIKey
VLLDZBJCHOTBQA-UHFFFAOYSA-N
Compound name
2-(1-methylsulfonylcyclopropyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06636 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07364 135.1
[M+Na]+ 201.05558 144.5
[M-H]- 177.05908 138.7
[M+NH4]+ 196.10018 152.1
[M+K]+ 217.02952 142.8
[M+H-H2O]+ 161.06362 131.7
[M+HCOO]- 223.06456 149.7
[M+CH3COO]- 237.08021 178.0
[M+Na-2H]- 199.04103 141.5
[M]+ 178.06581 140.5
[M]- 178.06691 140.5
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.