CID 806433

2-chloro-n-(3,5-dimethyl-1h-pyrazol-4-yl)acetamide

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
CC1=C(C(=NN1)C)NC(=O)CCl
InChI
InChI=1S/C7H10ClN3O/c1-4-7(5(2)11-10-4)9-6(12)3-8/h3H2,1-2H3,(H,9,12)(H,10,11)
InChIKey
FLZODFBFXMTSKH-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.05124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05852 139.1
[M+Na]+ 210.04046 148.5
[M-H]- 186.04396 139.1
[M+NH4]+ 205.08506 158.2
[M+K]+ 226.01440 144.6
[M+H-H2O]+ 170.04850 132.9
[M+HCOO]- 232.04944 156.6
[M+CH3COO]- 246.06509 180.4
[M+Na-2H]- 208.02591 142.5
[M]+ 187.05069 139.8
[M]- 187.05179 139.8
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.