CID 95490

14776-37-5

Structural Information

Molecular Formula
C10H12N2O
SMILES
CN1C(CC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c1-12-9(7-10(13)11-12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)
InChIKey
JNZGAKJBZUGXCU-UHFFFAOYSA-N
Compound name
1-methyl-5-phenylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

176.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 137.9
[M+Na]+ 199.084178 145.8
[M-H]- 175.087684 140.6
[M+NH4]+ 194.128783 156.5
[M+K]+ 215.058118 142.3
[M+H-H2O]+ 159.092220 130.4
[M+HCOO]- 221.093161 157.8
[M+CH3COO]- 235.108811 176.8
[M+Na-2H]- 197.069626 141.5
[M]+ 176.09441142 134.1
[M]- 176.09550858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe