CID 10909507

2-methylpropanethioamide

Structural Information

Molecular Formula
C4H9NS
SMILES
CC(C)C(=S)N
InChI
InChI=1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey
NPCLRBQYESMUPD-UHFFFAOYSA-N
Compound name
2-methylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

680
Patents

103.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.05285 119.7
[M+Na]+ 126.03479 126.6
[M-H]- 102.03829 120.0
[M+NH4]+ 121.07939 142.7
[M+K]+ 142.00873 125.7
[M+H-H2O]+ 86.042830 115.1
[M+HCOO]- 148.04377 136.9
[M+CH3COO]- 162.05942 169.9
[M+Na-2H]- 124.02024 120.9
[M]+ 103.04502 118.4
[M]- 103.04612 118.4
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.