CID 2877964

324055-95-0

Structural Information

Molecular Formula
C12H12N2O
SMILES
C1CC2C(=NN(C2=O)C3=CC=CC=C3)C1
InChI
InChI=1S/C12H12N2O/c15-12-10-7-4-8-11(10)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
XTVSZSYGOCWZGH-UHFFFAOYSA-N
Compound name
2-phenyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

200.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 143.3
[M+Na]+ 223.08418 152.1
[M-H]- 199.08768 148.6
[M+NH4]+ 218.12878 164.4
[M+K]+ 239.05812 148.7
[M+H-H2O]+ 183.09222 135.8
[M+HCOO]- 245.09316 164.8
[M+CH3COO]- 259.10881 156.6
[M+Na-2H]- 221.06963 146.4
[M]+ 200.09441 141.8
[M]- 200.09551 141.8
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