CID 15147385

3-[benzyl(methyl)amino]propanoic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CN(CCC(=O)O)CC1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-12(8-7-11(13)14)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKey
PYZWKFUBWBLIAN-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 143.4
[M+Na]+ 216.09950 148.7
[M-H]- 192.10300 146.6
[M+NH4]+ 211.14410 162.2
[M+K]+ 232.07344 147.6
[M+H-H2O]+ 176.10754 136.8
[M+HCOO]- 238.10848 166.9
[M+CH3COO]- 252.12413 187.1
[M+Na-2H]- 214.08495 148.2
[M]+ 193.10973 144.1
[M]- 193.11083 144.1
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