CID 43368466

3-methoxy-2-methylpropanethioamide

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC(COC)C(=S)N
InChI
InChI=1S/C5H11NOS/c1-4(3-7-2)5(6)8/h4H,3H2,1-2H3,(H2,6,8)
InChIKey
ZRPQZFODWXAEJB-UHFFFAOYSA-N
Compound name
3-methoxy-2-methylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05614 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 127.7
[M+Na]+ 156.045358 134.1
[M-H]- 132.048864 127.7
[M+NH4]+ 151.089963 149.4
[M+K]+ 172.019298 133.3
[M+H-H2O]+ 116.053400 122.6
[M+HCOO]- 178.054341 144.8
[M+CH3COO]- 192.069991 174.8
[M+Na-2H]- 154.030806 128.4
[M]+ 133.05559142 128.1
[M]- 133.05668858 128.1
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.