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

39
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 118.9
[M+Na]+ 141.03445 128.4
[M-H]- 117.03796 122.7
[M+NH4]+ 136.07906 138.3
[M+K]+ 157.00839 127.0
[M+H-H2O]+ 101.04250 114.7
[M+HCOO]- 163.04344 136.5
[M+CH3COO]- 177.05909 169.4
[M+Na-2H]- 139.01990 124.6
[M]+ 118.04469 123.0
[M]- 118.04578 123.0
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