CID 204353

1,2-dimethylindazoline

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CN1CC2=CC=CC=C2N1C

InChI

InChI=1S/C9H12N2/c1-10-7-8-5-3-4-6-9(8)11(10)2/h3-6H,7H2,1-2H3

InChIKey

JLKRZLACXDEZPJ-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 148.10005 Da
Monoisotopic Mass: 1.8
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]+	149.10733	130.5
[M+Na]+	171.08927	140.3
[M-H]-	147.09277	132.7
[M+NH4]+	166.13387	152.6
[M+K]+	187.06321	137.8
[M+H-H2O]+	131.09731	123.9
[M+HCOO]-	193.09825	151.8
[M+CH3COO]-	207.11390	144.6
[M+Na-2H]-	169.07472	136.8
[M]+	148.09950	130.4
[M]-	148.10060	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe