CID 9877962

3-[(2-phenylethyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1=CC=C(C=C1)CCNCCC(=O)O
InChI
InChI=1S/C11H15NO2/c13-11(14)7-9-12-8-6-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,13,14)
InChIKey
DYJFVIXCJFSAFC-UHFFFAOYSA-N
Compound name
3-(2-phenylethylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

540
Patents

193.11028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.2
[M+Na]+ 216.09950 148.4
[M-H]- 192.10300 144.9
[M+NH4]+ 211.14410 161.4
[M+K]+ 232.07344 145.9
[M+H-H2O]+ 176.10754 136.8
[M+HCOO]- 238.10848 166.3
[M+CH3COO]- 252.12413 183.6
[M+Na-2H]- 214.08495 148.9
[M]+ 193.10973 142.7
[M]- 193.11083 142.7
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