CID 5057699

2-amino-2-(pyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1=CC(=CN=C1)C(C(=O)O)N
InChI
InChI=1S/C7H8N2O2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,8H2,(H,10,11)
InChIKey
WJKDJKGHCRHSLB-UHFFFAOYSA-N
Compound name
2-amino-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

152.05858 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.0
[M+Na]+ 175.04780 136.7
[M-H]- 151.05130 130.6
[M+NH4]+ 170.09240 148.2
[M+K]+ 191.02174 135.2
[M+H-H2O]+ 135.05584 123.6
[M+HCOO]- 197.05678 151.5
[M+CH3COO]- 211.07243 174.4
[M+Na-2H]- 173.03325 135.6
[M]+ 152.05803 126.9
[M]- 152.05913 126.9
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