CID 137951623

Methyl cyclopropanecarbothioate

Structural Information

Molecular Formula
C5H8OS
SMILES
COC(=S)C1CC1
InChI
InChI=1S/C5H8OS/c1-6-5(7)4-2-3-4/h4H,2-3H2,1H3
InChIKey
LTTMQAOAEVXVOS-UHFFFAOYSA-N
Compound name
O-methyl cyclopropanecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.02959 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.036866 118.7
[M+Na]+ 139.018808 128.2
[M-H]- 115.022314 123.9
[M+NH4]+ 134.063413 137.0
[M+K]+ 154.992748 126.7
[M+H-H2O]+ 99.026850 113.1
[M+HCOO]- 161.027791 137.4
[M+CH3COO]- 175.043441 171.7
[M+Na-2H]- 137.004256 122.5
[M]+ 116.02904142 122.8
[M]- 116.03013858 122.8
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.