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

32
Patents

193.11028 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 143.4
[M+Na]+ 216.099498 148.7
[M-H]- 192.103004 146.6
[M+NH4]+ 211.144103 162.2
[M+K]+ 232.073438 147.6
[M+H-H2O]+ 176.107540 136.8
[M+HCOO]- 238.108481 166.9
[M+CH3COO]- 252.124131 187.1
[M+Na-2H]- 214.084946 148.2
[M]+ 193.10973142 144.1
[M]- 193.11082858 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