CID 11116265

Ethyl 1-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CCOC(=O)C1=CN(N=C1)C
InChI
InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9(2)5-6/h4-5H,3H2,1-2H3
InChIKey
GXKQVOXCQOQZED-UHFFFAOYSA-N
Compound name
ethyl 1-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

154.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 130.5
[M+Na]+ 177.06345 139.7
[M-H]- 153.06695 131.9
[M+NH4]+ 172.10805 150.9
[M+K]+ 193.03739 139.3
[M+H-H2O]+ 137.07149 123.8
[M+HCOO]- 199.07243 153.6
[M+CH3COO]- 213.08808 175.2
[M+Na-2H]- 175.04890 135.5
[M]+ 154.07368 133.3
[M]- 154.07478 133.3
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