CID 3040288

Brn 0641611

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCC1=C(C(=O)N2N1CCC2)C
InChI
InChI=1S/C9H14N2O/c1-3-8-7(2)9(12)11-6-4-5-10(8)11/h3-6H2,1-2H3
InChIKey
BRCWPWBIJMELSW-UHFFFAOYSA-N
Compound name
7-ethyl-6-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.3
[M+Na]+ 189.09983 146.0
[M-H]- 165.10333 138.0
[M+NH4]+ 184.14443 158.6
[M+K]+ 205.07377 143.9
[M+H-H2O]+ 149.10787 129.4
[M+HCOO]- 211.10881 157.6
[M+CH3COO]- 225.12446 179.6
[M+Na-2H]- 187.08528 138.3
[M]+ 166.11006 137.0
[M]- 166.11116 137.0
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.