CID 10608180

1-phenyl-3-(propan-2-yl)-4,5-dihydro-1h-pyrazol-5-one

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C)C1=NN(C(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
WGLILDVDMWWTCA-UHFFFAOYSA-N
Compound name
2-phenyl-5-propan-2-yl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

202.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.6
[M+Na]+ 225.09983 152.9
[M-H]- 201.10333 148.9
[M+NH4]+ 220.14443 162.8
[M+K]+ 241.07377 150.0
[M+H-H2O]+ 185.10787 136.6
[M+HCOO]- 247.10881 165.8
[M+CH3COO]- 261.12446 185.9
[M+Na-2H]- 223.08528 147.5
[M]+ 202.11006 144.2
[M]- 202.11116 144.2
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