CID 3021811

91350-30-0

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC(=O)N1C(CC=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O/c1-9(14)13-11(7-8-12-13)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKey
MGXAJRRGCIWETG-UHFFFAOYSA-N
Compound name
1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

188.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 140.6
[M+Na]+ 211.084178 148.4
[M-H]- 187.087684 144.7
[M+NH4]+ 206.128783 159.2
[M+K]+ 227.058118 145.9
[M+H-H2O]+ 171.092220 132.5
[M+HCOO]- 233.093161 162.1
[M+CH3COO]- 247.108811 181.1
[M+Na-2H]- 209.069626 144.7
[M]+ 188.09441142 139.4
[M]- 188.09550858 139.4
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