CID 9574836

Schembl2988306

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CC(C)/C=N/NC(=O)C1=CC=NC=C1

InChI

InChI=1S/C10H13N3O/c1-8(2)7-12-13-10(14)9-3-5-11-6-4-9/h3-8H,1-2H3,(H,13,14)/b12-7+

InChIKey

MJPCTVYIHONTJH-KPKJPENVSA-N

Compound name

N-[(E)-2-methylpropylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 191.10587 Da
Monoisotopic Mass: 1.1
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]+	192.113146	142.6
[M+Na]+	214.095088	148.5
[M-H]-	190.098594	146.1
[M+NH4]+	209.139693	160.7
[M+K]+	230.069028	147.3
[M+H-H2O]+	174.103130	134.9
[M+HCOO]-	236.104071	167.8
[M+CH3COO]-	250.119721	190.0
[M+Na-2H]-	212.080536	149.0
[M]+	191.10532142	142.4
[M]-	191.10641858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe