CID 350589

1-methyl-2,3-dihydro-1h-indazol-3-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
CN1C2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)8(11)9-10/h2-5H,1H3,(H,9,11)
InChIKey
ONNIFDMRZCMQQM-UHFFFAOYSA-N
Compound name
1-methyl-2H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.0
[M+Na]+ 171.05288 138.1
[M-H]- 147.05638 127.7
[M+NH4]+ 166.09748 147.5
[M+K]+ 187.02682 134.3
[M+H-H2O]+ 131.06092 119.8
[M+HCOO]- 193.06186 149.3
[M+CH3COO]- 207.07751 140.8
[M+Na-2H]- 169.03833 134.4
[M]+ 148.06311 127.3
[M]- 148.06421 127.3
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