CID 19972055

1-(methylsulfanyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H8OS
SMILES
CSC1(CC1)C=O
InChI
InChI=1S/C5H8OS/c1-7-5(4-6)2-3-5/h4H,2-3H2,1H3
InChIKey
STDVRFVMIDYUSW-UHFFFAOYSA-N
Compound name
1-methylsulfanylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

116.02959 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.03687 119.2
[M+Na]+ 139.01881 129.3
[M-H]- 115.02231 124.4
[M+NH4]+ 134.06341 139.2
[M+K]+ 154.99275 128.4
[M+H-H2O]+ 99.026850 114.7
[M+HCOO]- 161.02779 138.4
[M+CH3COO]- 175.04344 171.1
[M+Na-2H]- 137.00426 125.1
[M]+ 116.02904 124.3
[M]- 116.03014 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe