CID 103124836

1-(1-methyl-1h-indazol-3-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C11H10N2O
SMILES
CN1C2=CC=CC=C2C(=N1)C(=O)C=C
InChI
InChI=1S/C11H10N2O/c1-3-10(14)11-8-6-4-5-7-9(8)13(2)12-11/h3-7H,1H2,2H3
InChIKey
JIYPMXQGBOULHD-UHFFFAOYSA-N
Compound name
1-(1-methylindazol-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.1
[M+Na]+ 209.06854 149.3
[M-H]- 185.07204 140.9
[M+NH4]+ 204.11314 158.5
[M+K]+ 225.04248 145.6
[M+H-H2O]+ 169.07658 131.3
[M+HCOO]- 231.07752 161.2
[M+CH3COO]- 245.09317 183.3
[M+Na-2H]- 207.05399 144.2
[M]+ 186.07877 141.0
[M]- 186.07987 141.0
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

No patent data available for this compound.