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]+ 188.058516 139.1
[M+Na]+ 210.040458 148.5
[M-H]- 186.043964 139.1
[M+NH4]+ 205.085063 158.2
[M+K]+ 226.014398 144.6
[M+H-H2O]+ 170.048500 132.9
[M+HCOO]- 232.049441 156.6
[M+CH3COO]- 246.065091 180.4
[M+Na-2H]- 208.025906 142.5
[M]+ 187.05069142 139.8
[M]- 187.05178858 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.