CID 66965

Acetone semicarbazone

Structural Information

Molecular Formula
C4H9N3O
SMILES
CC(=NNC(=O)N)C
InChI
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey
HQDAJGNZGNZGCO-UHFFFAOYSA-N
Compound name
(propan-2-ylideneamino)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

366
Patents

115.07456 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.08184 123.3
[M+Na]+ 138.06378 129.4
[M-H]- 114.06728 124.9
[M+NH4]+ 133.10838 145.3
[M+K]+ 154.03772 130.3
[M+H-H2O]+ 98.071820 117.6
[M+HCOO]- 160.07276 150.2
[M+CH3COO]- 174.08841 178.2
[M+Na-2H]- 136.04923 128.8
[M]+ 115.07401 120.7
[M]- 115.07511 120.7
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.