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]+ 131.052516 123.2
[M+Na]+ 153.034458 133.0
[M-H]- 129.037964 128.3
[M+NH4]+ 148.079063 142.8
[M+K]+ 169.008398 131.8
[M+H-H2O]+ 113.042500 118.6
[M+HCOO]- 175.043441 142.1
[M+CH3COO]- 189.059091 174.0
[M+Na-2H]- 151.019906 128.7
[M]+ 130.04469142 128.7
[M]- 130.04578858 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.