CID 270750

Sodium perchlorate hydrate

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C

InChI

InChI=1S/C10H10N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6H,1-2H3

InChIKey

OYGSEQYNSZOSCE-UHFFFAOYSA-N

Compound name

5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 174.07932 Da
Monoisotopic Mass: 2.7
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]+	175.08660	134.5
[M+Na]+	197.06854	145.0
[M-H]-	173.07204	140.0
[M+NH4]+	192.11314	153.0
[M+K]+	213.04248	143.4
[M+H-H2O]+	157.07658	127.1
[M+HCOO]-	219.07752	157.8
[M+CH3COO]-	233.09317	149.1
[M+Na-2H]-	195.05399	141.5
[M]+	174.07877	136.9
[M]-	174.07987	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe