CID 43161570

2-methyl-1-(1-methyl-1h-pyrazol-4-yl)propan-1-one

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)C(=O)C1=CN(N=C1)C
InChI
InChI=1S/C8H12N2O/c1-6(2)8(11)7-4-9-10(3)5-7/h4-6H,1-3H3
InChIKey
UFJDXXRKOQJVRQ-UHFFFAOYSA-N
Compound name
2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

152.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 133.0
[M+Na]+ 175.08418 143.9
[M+NH4]+ 170.12878 140.3
[M+K]+ 191.05812 141.1
[M-H]- 151.08768 132.7
[M+Na-2H]- 173.06963 137.7
[M]+ 152.09441 134.2
[M]- 152.09551 134.2
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