CID 12433260

13362-26-0

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCOC(=O)C1=C(N=CC=C1)N
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3,(H2,9,10)
InChIKey
KIAGEDYOPMHRRB-UHFFFAOYSA-N
Compound name
ethyl 2-aminopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

166.07423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.7
[M+Na]+ 189.06345 141.7
[M-H]- 165.06695 135.9
[M+NH4]+ 184.10805 152.6
[M+K]+ 205.03739 140.4
[M+H-H2O]+ 149.07149 127.0
[M+HCOO]- 211.07243 157.4
[M+CH3COO]- 225.08808 179.6
[M+Na-2H]- 187.04890 139.8
[M]+ 166.07368 133.8
[M]- 166.07478 133.8
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