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]+ 219.112806 147.9
[M+Na]+ 241.094748 157.4
[M-H]- 217.098254 149.2
[M+NH4]+ 236.139353 166.2
[M+K]+ 257.068688 154.3
[M+H-H2O]+ 201.102790 141.0
[M+HCOO]- 263.103731 168.1
[M+CH3COO]- 277.119381 187.5
[M+Na-2H]- 239.080196 151.8
[M]+ 218.10498142 150.7
[M]- 218.10607858 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