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]+ 141.06586 127.3
[M+Na]+ 163.04780 135.5
[M-H]- 139.05130 127.0
[M+NH4]+ 158.09240 147.2
[M+K]+ 179.02174 134.5
[M+H-H2O]+ 123.05584 120.6
[M+HCOO]- 185.05678 149.1
[M+CH3COO]- 199.07243 168.4
[M+Na-2H]- 161.03325 132.9
[M]+ 140.05803 127.4
[M]- 140.05913 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