CID 506618

D,l-alpha-nicotinylaminobutyric acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCC(C(=O)O)NCC1=CN=CC=C1
InChI
InChI=1S/C10H14N2O2/c1-2-9(10(13)14)12-7-8-4-3-5-11-6-8/h3-6,9,12H,2,7H2,1H3,(H,13,14)
InChIKey
XRJCWAOFBYPPFL-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylmethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.3
[M+Na]+ 217.09475 148.6
[M-H]- 193.09825 143.8
[M+NH4]+ 212.13935 160.0
[M+K]+ 233.06869 146.8
[M+H-H2O]+ 177.10279 136.2
[M+HCOO]- 239.10373 164.4
[M+CH3COO]- 253.11938 184.1
[M+Na-2H]- 215.08020 148.4
[M]+ 194.10498 142.3
[M]- 194.10608 142.3
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

No patent data available for this compound.