CID 9571513

Nsc675371

Structural Information

Molecular Formula
C13H12N2O
SMILES
CC(=O)C\1=CC=C/C1=N\NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O/c1-10(16)12-8-5-9-13(12)15-14-11-6-3-2-4-7-11/h2-9,14H,1H3/b15-13+
InChIKey
KDBBHGQEKHITEO-FYWRMAATSA-N
Compound name
1-[(5E)-5-(phenylhydrazinylidene)cyclopenta-1,3-dien-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 146.0
[M+Na]+ 235.08418 152.9
[M-H]- 211.08768 154.4
[M+NH4]+ 230.12878 166.3
[M+K]+ 251.05812 150.0
[M+H-H2O]+ 195.09222 138.6
[M+HCOO]- 257.09316 174.7
[M+CH3COO]- 271.10881 192.9
[M+Na-2H]- 233.06963 151.5
[M]+ 212.09441 145.7
[M]- 212.09551 145.7
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.