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

2
Patents

185.15282 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.160096 146.1
[M+Na]+ 208.142038 150.1
[M-H]- 184.145544 146.7
[M+NH4]+ 203.186643 165.3
[M+K]+ 224.115978 149.8
[M+H-H2O]+ 168.150080 139.4
[M+HCOO]- 230.151021 171.4
[M+CH3COO]- 244.166671 193.5
[M+Na-2H]- 206.127486 149.0
[M]+ 185.15227142 145.4
[M]- 185.15336858 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