CID 64165149

1-cyclopropyl-3-(methylsulfanyl)propan-1-one

Structural Information

Molecular Formula
C7H12OS
SMILES
CSCCC(=O)C1CC1
InChI
InChI=1S/C7H12OS/c1-9-5-4-7(8)6-2-3-6/h6H,2-5H2,1H3
InChIKey
IKKMNMPKJRLUFY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.068156 126.9
[M+Na]+ 167.050098 135.4
[M-H]- 143.053604 131.6
[M+NH4]+ 162.094703 144.0
[M+K]+ 183.024038 133.4
[M+H-H2O]+ 127.058140 120.8
[M+HCOO]- 189.059081 144.9
[M+CH3COO]- 203.074731 178.1
[M+Na-2H]- 165.035546 129.6
[M]+ 144.06033142 131.7
[M]- 144.06142858 131.7
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.