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

46
Patents

152.05858 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 130.0
[M+Na]+ 175.047798 136.7
[M-H]- 151.051304 130.6
[M+NH4]+ 170.092403 148.2
[M+K]+ 191.021738 135.2
[M+H-H2O]+ 135.055840 123.6
[M+HCOO]- 197.056781 151.5
[M+CH3COO]- 211.072431 174.4
[M+Na-2H]- 173.033246 135.6
[M]+ 152.05803142 126.9
[M]- 152.05912858 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