CID 2778354

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

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
CC1=NN(C(=C1)NC(=O)CCl)C
InChI
InChI=1S/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12)
InChIKey
XIKWBUIHJKCCDR-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 138.4
[M+Na]+ 210.04046 148.3
[M-H]- 186.04396 139.8
[M+NH4]+ 205.08506 158.2
[M+K]+ 226.01440 145.3
[M+H-H2O]+ 170.04850 132.0
[M+HCOO]- 232.04944 157.5
[M+CH3COO]- 246.06509 183.0
[M+Na-2H]- 208.02591 142.4
[M]+ 187.05069 141.0
[M]- 187.05179 141.0
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