CID 571750

2257-17-2

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1=CC=C(C=C1)NN=C2CCCCC2=O
InChI
InChI=1S/C13H16N2O/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16/h6-9,14H,2-5H2,1H3
InChIKey
SVFSFFXAWSSMEM-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)hydrazinylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 147.5
[M+Na]+ 239.11549 152.7
[M-H]- 215.11899 155.0
[M+NH4]+ 234.16009 165.9
[M+K]+ 255.08943 149.8
[M+H-H2O]+ 199.12353 139.8
[M+HCOO]- 261.12447 172.1
[M+CH3COO]- 275.14012 194.4
[M+Na-2H]- 237.10094 152.9
[M]+ 216.12572 143.1
[M]- 216.12682 143.1
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.