CID 23005699

1-[1-(propan-2-yl)-1h-pyrazol-4-yl]ethan-1-one

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)N1C=C(C=N1)C(=O)C
InChI
InChI=1S/C8H12N2O/c1-6(2)10-5-8(4-9-10)7(3)11/h4-6H,1-3H3
InChIKey
BIWZOSZMTVEENZ-UHFFFAOYSA-N
Compound name
1-(1-propan-2-ylpyrazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

152.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 132.0
[M+Na]+ 175.084178 140.6
[M-H]- 151.087684 133.4
[M+NH4]+ 170.128783 152.5
[M+K]+ 191.058118 139.9
[M+H-H2O]+ 135.092220 125.4
[M+HCOO]- 197.093161 153.5
[M+CH3COO]- 211.108811 177.8
[M+Na-2H]- 173.069626 135.3
[M]+ 152.09441142 133.2
[M]- 152.09550858 133.2
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