CID 145662727

1-[(methylsulfanyl)methyl]cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C6H10OS
SMILES
CSCC1(CC1)C=O
InChI
InChI=1S/C6H10OS/c1-8-5-6(4-7)2-3-6/h4H,2-3,5H2,1H3
InChIKey
ALWKAHSYELYZRT-UHFFFAOYSA-N
Compound name
1-(methylsulfanylmethyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.04524 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.05252 123.2
[M+Na]+ 153.03446 133.0
[M-H]- 129.03796 128.3
[M+NH4]+ 148.07906 142.8
[M+K]+ 169.00840 131.8
[M+H-H2O]+ 113.04250 118.6
[M+HCOO]- 175.04344 142.1
[M+CH3COO]- 189.05909 174.0
[M+Na-2H]- 151.01991 128.7
[M]+ 130.04469 128.7
[M]- 130.04579 128.7
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.