CID 25725

13117-21-0

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

C1CCCC(CCC1)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H21N3O/c18-14(12-8-10-15-11-9-12)17-16-13-6-4-2-1-3-5-7-13/h8-11,13,16H,1-7H2,(H,17,18)

InChIKey

DDZSVJLVGURHGC-UHFFFAOYSA-N

Compound name

N'-cyclooctylpyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 247.16846 Da
Monoisotopic Mass: 2.8
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]+	248.17574	152.0
[M+Na]+	270.15768	154.8
[M-H]-	246.16118	154.1
[M+NH4]+	265.20228	158.7
[M+K]+	286.13162	154.6
[M+H-H2O]+	230.16572	147.2
[M+HCOO]-	292.16666	161.1
[M+CH3COO]-	306.18231	228.0
[M+Na-2H]-	268.14313	152.8
[M]+	247.16791	148.9
[M]-	247.16901	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe