CID 15610177

[(methoxycarbonyl)oxy](pyridin-2-yl)methanone

Structural Information

Molecular Formula
C8H7NO4
SMILES
COC(=O)OC(=O)C1=CC=CC=N1
InChI
InChI=1S/C8H7NO4/c1-12-8(11)13-7(10)6-4-2-3-5-9-6/h2-5H,1H3
InChIKey
FVACPSNGHWUBQN-UHFFFAOYSA-N
Compound name
methoxycarbonyl pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

181.0375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 134.1
[M+Na]+ 204.026718 142.1
[M-H]- 180.030224 136.7
[M+NH4]+ 199.071323 152.5
[M+K]+ 220.000658 142.2
[M+H-H2O]+ 164.034760 127.4
[M+HCOO]- 226.035701 157.1
[M+CH3COO]- 240.051351 177.0
[M+Na-2H]- 202.012166 140.6
[M]+ 181.03695142 137.1
[M]- 181.03804858 137.1
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