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

34
Patents

118.045235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 118.9
[M+Na]+ 141.034453 128.4
[M-H]- 117.037959 122.7
[M+NH4]+ 136.079058 138.3
[M+K]+ 157.008393 127.0
[M+H-H2O]+ 101.042495 114.7
[M+HCOO]- 163.043436 136.5
[M+CH3COO]- 177.059086 169.4
[M+Na-2H]- 139.019901 124.6
[M]+ 118.04468642 123.0
[M]- 118.04578358 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