CID 1540639

62247-21-6

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1=CC(=CN=C1)[C@@H](CC(=O)O)N
InChI
InChI=1S/C8H10N2O2/c9-7(4-8(11)12)6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m1/s1
InChIKey
QOTCEJINJFHMLO-SSDOTTSWSA-N
Compound name
(3R)-3-amino-3-pyridin-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

315
Patents

166.07423 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.6
[M+Na]+ 189.063448 140.9
[M-H]- 165.066954 135.0
[M+NH4]+ 184.108053 152.2
[M+K]+ 205.037388 139.1
[M+H-H2O]+ 149.071490 128.0
[M+HCOO]- 211.072431 155.8
[M+CH3COO]- 225.088081 177.4
[M+Na-2H]- 187.048896 139.7
[M]+ 166.07368142 131.9
[M]- 166.07477858 131.9
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