CID 50989154

878678-79-6

Structural Information

Molecular Formula
C6H8N2O2
SMILES
COC(=O)CC1=CC=NN1
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)4-5-2-3-7-8-5/h2-3H,4H2,1H3,(H,7,8)
InChIKey
PBWIWDDODPODHV-UHFFFAOYSA-N
Compound name
methyl 2-(1H-pyrazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

140.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 127.3
[M+Na]+ 163.047798 135.5
[M-H]- 139.051304 127.0
[M+NH4]+ 158.092403 147.2
[M+K]+ 179.021738 134.5
[M+H-H2O]+ 123.055840 120.6
[M+HCOO]- 185.056781 149.1
[M+CH3COO]- 199.072431 168.4
[M+Na-2H]- 161.033246 132.9
[M]+ 140.05803142 127.4
[M]- 140.05912858 127.4
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