CID 18975826

92767-16-3

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CN=CC=C1CCC(C(=O)O)N
InChI
InChI=1S/C9H12N2O2/c10-8(9(12)13)2-1-7-3-5-11-6-4-7/h3-6,8H,1-2,10H2,(H,12,13)
InChIKey
WHCQVPISOOTNON-UHFFFAOYSA-N
Compound name
2-amino-4-pyridin-4-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

180.08987 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.2
[M+Na]+ 203.079088 145.0
[M-H]- 179.082594 139.4
[M+NH4]+ 198.123693 156.2
[M+K]+ 219.053028 143.0
[M+H-H2O]+ 163.087130 132.3
[M+HCOO]- 225.088071 160.0
[M+CH3COO]- 239.103721 180.5
[M+Na-2H]- 201.064536 143.7
[M]+ 180.08932142 136.8
[M]- 180.09041858 136.8
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