CID 53778949

[1-(methylsulfanyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C5H10OS
SMILES
CSC1(CC1)CO
InChI
InChI=1S/C5H10OS/c1-7-5(4-6)2-3-5/h6H,2-4H2,1H3
InChIKey
CGNLIDJMENUEAN-UHFFFAOYSA-N
Compound name
(1-methylsulfanylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

118.045235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 125.3
[M+Na]+ 141.03445 137.1
[M+NH4]+ 136.07906 136.5
[M+K]+ 157.00839 129.5
[M-H]- 117.03796 133.5
[M+Na-2H]- 139.01990 134.0
[M]+ 118.04469 131.0
[M]- 118.04578 131.0
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