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]+ 187.086596 138.1
[M+Na]+ 209.068538 149.3
[M-H]- 185.072044 140.9
[M+NH4]+ 204.113143 158.5
[M+K]+ 225.042478 145.6
[M+H-H2O]+ 169.076580 131.3
[M+HCOO]- 231.077521 161.2
[M+CH3COO]- 245.093171 183.3
[M+Na-2H]- 207.053986 144.2
[M]+ 186.07877142 141.0
[M]- 186.07986858 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.