CID 29921676

2-(2-aminopyridin-4-yl)acetic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1=CN=C(C=C1CC(=O)O)N
InChI
InChI=1S/C7H8N2O2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H2,8,9)(H,10,11)
InChIKey
MAPLKZRJKHIYAZ-UHFFFAOYSA-N
Compound name
2-(2-aminopyridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

152.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.5
[M+Na]+ 175.04780 137.4
[M-H]- 151.05130 130.4
[M+NH4]+ 170.09240 148.1
[M+K]+ 191.02174 135.4
[M+H-H2O]+ 135.05584 123.2
[M+HCOO]- 197.05678 152.0
[M+CH3COO]- 211.07243 174.7
[M+Na-2H]- 173.03325 135.6
[M]+ 152.05803 127.5
[M]- 152.05913 127.5
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