CID 72207517

863032-31-9

Structural Information

Molecular Formula
C7H8N2O2
SMILES
COC(=O)CC1=CN=NC=C1
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)4-6-2-3-8-9-5-6/h2-3,5H,4H2,1H3
InChIKey
KVEYLMIGFBBEHX-UHFFFAOYSA-N
Compound name
methyl 2-pyridazin-4-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 129.1
[M+Na]+ 175.047798 137.5
[M-H]- 151.051304 130.1
[M+NH4]+ 170.092403 147.4
[M+K]+ 191.021738 136.7
[M+H-H2O]+ 135.055840 121.8
[M+HCOO]- 197.056781 151.4
[M+CH3COO]- 211.072431 174.0
[M+Na-2H]- 173.033246 137.3
[M]+ 152.05803142 130.8
[M]- 152.05912858 130.8
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

No patent data available for this compound.