CID 18376120

3-[3-(aminomethyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1=CC(=CC(=C1)CN)CCC(=O)O
InChI
InChI=1S/C10H13NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-3,6H,4-5,7,11H2,(H,12,13)
InChIKey
IIFWPQVEDPPALP-UHFFFAOYSA-N
Compound name
3-[3-(aminomethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

179.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.1
[M+Na]+ 202.08386 149.8
[M+NH4]+ 197.12846 146.6
[M+K]+ 218.05780 144.4
[M-H]- 178.08736 140.5
[M+Na-2H]- 200.06931 144.5
[M]+ 179.09409 140.7
[M]- 179.09519 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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