CID 21998699

246219-78-3

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC(C)(C1=CN=C(C=C1)N)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-9(2,8(12)13)6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H2,10,11)(H,12,13)
InChIKey
XFQKWWXKWWWYRH-UHFFFAOYSA-N
Compound name
2-(6-amino-3-pyridinyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

180.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.8
[M+Na]+ 203.079088 146.3
[M-H]- 179.082594 139.7
[M+NH4]+ 198.123693 156.4
[M+K]+ 219.053028 144.3
[M+H-H2O]+ 163.087130 132.8
[M+HCOO]- 225.088071 159.0
[M+CH3COO]- 239.103721 181.1
[M+Na-2H]- 201.064536 144.6
[M]+ 180.08932142 137.0
[M]- 180.09041858 137.0
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