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

10
Patents

181.0375 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 134.1
[M+Na]+ 204.02672 142.1
[M-H]- 180.03022 136.7
[M+NH4]+ 199.07132 152.5
[M+K]+ 220.00066 142.2
[M+H-H2O]+ 164.03476 127.4
[M+HCOO]- 226.03570 157.1
[M+CH3COO]- 240.05135 177.0
[M+Na-2H]- 202.01217 140.6
[M]+ 181.03695 137.1
[M]- 181.03805 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