CID 5385518

Methyl hexyl ketone semicarbazone

Structural Information

Molecular Formula
C9H19N3O
SMILES
CCCCCC/C(=N/NC(=O)N)/C
InChI
InChI=1S/C9H19N3O/c1-3-4-5-6-7-8(2)11-12-9(10)13/h3-7H2,1-2H3,(H3,10,12,13)/b11-8+
InChIKey
COGNJHDCPSNYEH-DHZHZOJOSA-N
Compound name
[(E)-octan-2-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

185.15282 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 145.6
[M+Na]+ 208.14204 151.9
[M+NH4]+ 203.18664 151.7
[M+K]+ 224.11598 147.3
[M-H]- 184.14554 145.7
[M+Na-2H]- 206.12749 147.6
[M]+ 185.15227 145.9
[M]- 185.15337 145.9
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