CID 3555130

N-(aminothioxomethyl)-2-methylpropanamide

Structural Information

Molecular Formula
C5H10N2OS
SMILES
CC(C)C(=O)NC(=S)N
InChI
InChI=1S/C5H10N2OS/c1-3(2)4(8)7-5(6)9/h3H,1-2H3,(H3,6,7,8,9)
InChIKey
QDAGIMDDJUTAFV-UHFFFAOYSA-N
Compound name
N-carbamothioyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

146.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.058666 131.5
[M+Na]+ 169.040608 137.2
[M-H]- 145.044114 131.5
[M+NH4]+ 164.085213 152.3
[M+K]+ 185.014548 136.1
[M+H-H2O]+ 129.048650 126.0
[M+HCOO]- 191.049591 148.7
[M+CH3COO]- 205.065241 178.4
[M+Na-2H]- 167.026056 131.4
[M]+ 146.05084142 129.6
[M]- 146.05193858 129.6
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