CID 7019427

1-(1,5-dimethyl-1h-pyrazol-4-yl)ethanone

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=C(C=NN1C)C(=O)C
InChI
InChI=1S/C7H10N2O/c1-5-7(6(2)10)4-8-9(5)3/h4H,1-3H3
InChIKey
TXXZNYALZCZZSY-UHFFFAOYSA-N
Compound name
1-(1,5-dimethylpyrazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

138.07932 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.6
[M+Na]+ 161.06854 136.7
[M-H]- 137.07204 128.3
[M+NH4]+ 156.11314 148.0
[M+K]+ 177.04248 135.8
[M+H-H2O]+ 121.07658 120.3
[M+HCOO]- 183.07752 149.4
[M+CH3COO]- 197.09317 175.0
[M+Na-2H]- 159.05399 130.9
[M]+ 138.07877 128.4
[M]- 138.07987 128.4
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