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

10
Patents

148.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 130.7
[M+Na]+ 171.08927 144.1
[M+NH4]+ 166.13387 140.3
[M+K]+ 187.06321 138.8
[M-H]- 147.09277 132.6
[M+Na-2H]- 169.07472 136.8
[M]+ 148.09950 133.1
[M]- 148.10060 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe