CID 5376969

Piperonal, phenylhydrazone

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N\NC3=CC=CC=C3
InChI
InChI=1S/C14H12N2O2/c1-2-4-12(5-3-1)16-15-9-11-6-7-13-14(8-11)18-10-17-13/h1-9,16H,10H2/b15-9-
InChIKey
BXPJESDAKFUKSF-DHDCSXOGSA-N
Compound name
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 150.5
[M+Na]+ 263.079088 157.7
[M-H]- 239.082594 160.7
[M+NH4]+ 258.123693 168.0
[M+K]+ 279.053028 156.5
[M+H-H2O]+ 223.087130 143.1
[M+HCOO]- 285.088071 176.4
[M+CH3COO]- 299.103721 164.1
[M+Na-2H]- 261.064536 160.1
[M]+ 240.08932142 151.9
[M]- 240.09041858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.