CID 24702091

4-methoxybutanethioamide

Structural Information

Molecular Formula
C5H11NOS
SMILES
COCCCC(=S)N
InChI
InChI=1S/C5H11NOS/c1-7-4-2-3-5(6)8/h2-4H2,1H3,(H2,6,8)
InChIKey
QKKIPHYCDHJMAF-UHFFFAOYSA-N
Compound name
4-methoxybutanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 127.1
[M+Na]+ 156.045358 133.8
[M-H]- 132.048864 127.1
[M+NH4]+ 151.089963 148.9
[M+K]+ 172.019298 132.5
[M+H-H2O]+ 116.053400 122.0
[M+HCOO]- 178.054341 145.3
[M+CH3COO]- 192.069991 174.0
[M+Na-2H]- 154.030806 129.1
[M]+ 133.05559142 128.2
[M]- 133.05668858 128.2
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

patents stripe