CID 216821

37744-42-6

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
CC1=CC(=NN1)C(=O)OCC2=CC(=CN=C2)Cl
InChI
InChI=1S/C11H10ClN3O2/c1-7-2-10(15-14-7)11(16)17-6-8-3-9(12)5-13-4-8/h2-5H,6H2,1H3,(H,14,15)
InChIKey
YPHZQMMVDAMBHK-UHFFFAOYSA-N
Compound name
(5-chloropyridin-3-yl)methyl 5-methyl-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 152.6
[M+Na]+ 274.03538 162.4
[M-H]- 250.03888 154.4
[M+NH4]+ 269.07998 167.6
[M+K]+ 290.00932 157.4
[M+H-H2O]+ 234.04342 144.2
[M+HCOO]- 296.04436 168.1
[M+CH3COO]- 310.06001 188.0
[M+Na-2H]- 272.02083 156.0
[M]+ 251.04561 155.1
[M]- 251.04671 155.1
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.