CID 6474589

Hydrazinecarbothioamide, 2-(3-methylbutylidene)-

Structural Information

Molecular Formula
C6H13N3S
SMILES
CC(C)C/C=N/NC(=S)N
InChI
InChI=1S/C6H13N3S/c1-5(2)3-4-8-9-6(7)10/h4-5H,3H2,1-2H3,(H3,7,9,10)/b8-4+
InChIKey
LXINIHQPLNZOPZ-XBXARRHUSA-N
Compound name
[(E)-3-methylbutylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08302 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.090296 135.5
[M+Na]+ 182.072238 140.6
[M-H]- 158.075744 136.6
[M+NH4]+ 177.116843 156.2
[M+K]+ 198.046178 139.2
[M+H-H2O]+ 142.080280 129.1
[M+HCOO]- 204.081221 155.6
[M+CH3COO]- 218.096871 186.1
[M+Na-2H]- 180.057686 136.9
[M]+ 159.08247142 134.2
[M]- 159.08356858 134.2
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

No patent data available for this compound.