CID 4019172

7170-36-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

341
Patents

181.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 135.5
[M+Na]+ 204.02672 146.8
[M+NH4]+ 199.07132 141.6
[M+K]+ 220.00066 143.3
[M-H]- 180.03022 134.6
[M+Na-2H]- 202.01217 140.4
[M]+ 181.03695 136.5
[M]- 181.03805 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe