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

682
Patents

103.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.052846 119.7
[M+Na]+ 126.034788 126.6
[M-H]- 102.038294 120.0
[M+NH4]+ 121.079393 142.7
[M+K]+ 142.008728 125.7
[M+H-H2O]+ 86.042830 115.1
[M+HCOO]- 148.043771 136.9
[M+CH3COO]- 162.059421 169.9
[M+Na-2H]- 124.020236 120.9
[M]+ 103.04502142 118.4
[M]- 103.04611858 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

literature stripe

Patent stripe

patents stripe