CID 7017175

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

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CN1C=CC(=N1)C(=O)OC
InChI
InChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3
InChIKey
WUUOFOYBXXQAGD-UHFFFAOYSA-N
Compound name
methyl 1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

140.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.8
[M+Na]+ 163.04780 135.5
[M-H]- 139.05130 127.4
[M+NH4]+ 158.09240 146.8
[M+K]+ 179.02174 135.3
[M+H-H2O]+ 123.05584 119.3
[M+HCOO]- 185.05678 149.2
[M+CH3COO]- 199.07243 172.2
[M+Na-2H]- 161.03325 131.3
[M]+ 140.05803 128.2
[M]- 140.05913 128.2
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