CID 27386

P 1070

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₂

SMILES

C1CCOC(C1)CNNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H17N3O2/c16-12(10-4-6-13-7-5-10)15-14-9-11-3-1-2-8-17-11/h4-7,11,14H,1-3,8-9H2,(H,15,16)

InChIKey

GLBPJKJJBACZQT-UHFFFAOYSA-N

Compound name

N'-(oxan-2-ylmethyl)pyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.13208 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.13936	152.9
[M+Na]+	258.12130	155.6
[M-H]-	234.12480	157.5
[M+NH4]+	253.16590	166.4
[M+K]+	274.09524	154.4
[M+H-H2O]+	218.12934	143.8
[M+HCOO]-	280.13028	173.1
[M+CH3COO]-	294.14593	193.1
[M+Na-2H]-	256.10675	159.5
[M]+	235.13153	148.1
[M]-	235.13263	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe