CID 27390

Benzoic acid, 2-(3,5-dimethyl-4-oxocyclohexyl)hydrazide

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1CC(CC(C1=O)C)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O2/c1-10-8-13(9-11(2)14(10)18)16-17-15(19)12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,17,19)
InChIKey
MMJPYEUISBYTQS-UHFFFAOYSA-N
Compound name
N'-(3,5-dimethyl-4-oxocyclohexyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 160.4
[M+Na]+ 283.14169 164.8
[M-H]- 259.14519 166.5
[M+NH4]+ 278.18629 176.4
[M+K]+ 299.11563 161.7
[M+H-H2O]+ 243.14973 152.7
[M+HCOO]- 305.15067 181.9
[M+CH3COO]- 319.16632 202.2
[M+Na-2H]- 281.12714 162.4
[M]+ 260.15192 156.0
[M]- 260.15302 156.0
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.