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]+ 117.03687 118.7
[M+Na]+ 139.01881 128.2
[M-H]- 115.02231 123.9
[M+NH4]+ 134.06341 137.0
[M+K]+ 154.99275 126.7
[M+H-H2O]+ 99.026850 113.1
[M+HCOO]- 161.02779 137.4
[M+CH3COO]- 175.04344 171.7
[M+Na-2H]- 137.00426 122.5
[M]+ 116.02904 122.8
[M]- 116.03014 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.