CID 70152935

2137998-09-3

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC1N2C=CC(=O)N2
InChI
InChI=1S/C6H8N2O/c9-6-3-4-8(7-6)5-1-2-5/h3-5H,1-2H2,(H,7,9)
InChIKey
RRRGNVGMNLADPD-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

124.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 126.8
[M+Na]+ 147.05288 138.1
[M-H]- 123.05638 130.8
[M+NH4]+ 142.09748 142.7
[M+K]+ 163.02682 134.3
[M+H-H2O]+ 107.06092 119.8
[M+HCOO]- 169.06186 149.7
[M+CH3COO]- 183.07751 169.9
[M+Na-2H]- 145.03833 132.8
[M]+ 124.06311 127.6
[M]- 124.06421 127.6
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