CID 71759

Ciamexon

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC1=NC(=C(C=C1)CN2CC2C#N)OC

InChI

InChI=1S/C11H13N3O/c1-8-3-4-9(11(13-8)15-2)6-14-7-10(14)5-12/h3-4,10H,6-7H2,1-2H3

InChIKey

KOYMTVWMCXDJNV-UHFFFAOYSA-N

Compound name

1-[(2-methoxy-6-methylpyridin-3-yl)methyl]aziridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 256
Patents: 203.10587 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]+	204.11315	143.7
[M+Na]+	226.09509	160.0
[M-H]-	202.09859	149.4
[M+NH4]+	221.13969	156.2
[M+K]+	242.06903	153.2
[M+H-H2O]+	186.10313	131.8
[M+HCOO]-	248.10407	163.8
[M+CH3COO]-	262.11972	201.9
[M+Na-2H]-	224.08054	150.1
[M]+	203.10532	144.8
[M]-	203.10642	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe