CID 2753079

Methyl 5-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=CC(=NN1)C(=O)OC
InChI
InChI=1S/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChIKey
GFEZEVUIYRGWNU-UHFFFAOYSA-N
Compound name
methyl 5-methyl-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

140.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 126.9
[M+Na]+ 163.047798 136.0
[M-H]- 139.051304 127.0
[M+NH4]+ 158.092403 147.1
[M+K]+ 179.021738 135.0
[M+H-H2O]+ 123.055840 120.5
[M+HCOO]- 185.056781 148.7
[M+CH3COO]- 199.072431 169.5
[M+Na-2H]- 161.033246 131.8
[M]+ 140.05803142 127.3
[M]- 140.05912858 127.3
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