CID 73101

Picolinic acid, 2-benzylhydrazide

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)CNNC(=O)C2=CC=CC=N2
InChI
InChI=1S/C13H13N3O/c17-13(12-8-4-5-9-14-12)16-15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChIKey
MAUBFEHMBSQXMM-UHFFFAOYSA-N
Compound name
N'-benzylpyridine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

227.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 149.3
[M+Na]+ 250.09509 154.6
[M-H]- 226.09859 154.2
[M+NH4]+ 245.13969 164.7
[M+K]+ 266.06903 151.0
[M+H-H2O]+ 210.10313 140.4
[M+HCOO]- 272.10407 174.2
[M+CH3COO]- 286.11972 192.9
[M+Na-2H]- 248.08054 157.7
[M]+ 227.10532 147.1
[M]- 227.10642 147.1
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

patents stripe