CID 83272

13256-23-0

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

CCN(CC1=CC=NC=C1)N=O

InChI

InChI=1S/C8H11N3O/c1-2-11(10-12)7-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3

InChIKey

HXKBADXWZNBJSW-UHFFFAOYSA-N

Compound name

N-ethyl-N-(pyridin-4-ylmethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 165.09021 Da
Monoisotopic Mass: 1.0
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]+	166.097486	133.0
[M+Na]+	188.079428	139.9
[M-H]-	164.082934	138.0
[M+NH4]+	183.124033	152.8
[M+K]+	204.053368	140.3
[M+H-H2O]+	148.087470	125.1
[M+HCOO]-	210.088411	161.1
[M+CH3COO]-	224.104061	187.9
[M+Na-2H]-	186.064876	142.3
[M]+	165.08966142	135.4
[M]-	165.09075858	135.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.