CID 58823825

1-(6-methoxy-1h-indazol-3-yl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CC(C)C(=O)C1=NNC2=C1C=CC(=C2)OC
InChI
InChI=1S/C12H14N2O2/c1-7(2)12(15)11-9-5-4-8(16-3)6-10(9)13-14-11/h4-7H,1-3H3,(H,13,14)
InChIKey
TYPMXIFIXXJTHN-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1H-indazol-3-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

218.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.9
[M+Na]+ 241.09475 157.4
[M-H]- 217.09825 149.2
[M+NH4]+ 236.13935 166.2
[M+K]+ 257.06869 154.3
[M+H-H2O]+ 201.10279 141.0
[M+HCOO]- 263.10373 168.1
[M+CH3COO]- 277.11938 187.5
[M+Na-2H]- 239.08020 151.8
[M]+ 218.10498 150.7
[M]- 218.10608 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe