CID 825998

Benzyl-n-methyl-l-alanine

Structural Information

Molecular Formula
C11H15NO2
SMILES
C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1
InChI
InChI=1S/C11H15NO2/c1-9(11(13)14)12(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKey
YEJHUOTUSORYPX-VIFPVBQESA-N
Compound name
(2S)-2-[benzyl(methyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

193.11028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.6
[M+Na]+ 216.09950 148.7
[M-H]- 192.10300 146.9
[M+NH4]+ 211.14410 162.4
[M+K]+ 232.07344 148.1
[M+H-H2O]+ 176.10754 137.2
[M+HCOO]- 238.10848 166.2
[M+CH3COO]- 252.12413 188.0
[M+Na-2H]- 214.08495 147.2
[M]+ 193.10973 143.7
[M]- 193.11083 143.7
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

patents stripe