CID 135480750

Diacetyl monoxime thiosemicarbazone

Structural Information

Molecular Formula
C5H10N4OS
SMILES
C/C(=N\NC(=S)N)/C(=N\O)/C
InChI
InChI=1S/C5H10N4OS/c1-3(4(2)9-10)7-8-5(6)11/h10H,1-2H3,(H3,6,8,11)/b7-3+,9-4-
InChIKey
JYFXRMZMTBRMHZ-ACPAIRACSA-N
Compound name
[(E)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

174.05753 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06481 137.6
[M+Na]+ 197.04675 142.2
[M-H]- 173.05025 138.7
[M+NH4]+ 192.09135 156.9
[M+K]+ 213.02069 141.2
[M+H-H2O]+ 157.05479 130.6
[M+HCOO]- 219.05573 158.2
[M+CH3COO]- 233.07138 189.6
[M+Na-2H]- 195.03220 138.7
[M]+ 174.05698 135.0
[M]- 174.05808 135.0
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

No patent data available for this compound.