CID 15656133

16952-66-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

166.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.7
[M+Na]+ 189.063448 141.7
[M-H]- 165.066954 135.9
[M+NH4]+ 184.108053 152.6
[M+K]+ 205.037388 140.4
[M+H-H2O]+ 149.071490 127.0
[M+HCOO]- 211.072431 157.4
[M+CH3COO]- 225.088081 179.6
[M+Na-2H]- 187.048896 139.8
[M]+ 166.07368142 133.8
[M]- 166.07477858 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