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

3
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 146.1
[M+Na]+ 208.14204 150.1
[M-H]- 184.14554 146.7
[M+NH4]+ 203.18664 165.3
[M+K]+ 224.11598 149.8
[M+H-H2O]+ 168.15008 139.4
[M+HCOO]- 230.15102 171.4
[M+CH3COO]- 244.16667 193.5
[M+Na-2H]- 206.12749 149.0
[M]+ 185.15227 145.4
[M]- 185.15337 145.4
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