CID 40175

Alanine, 3-(3,4-dihydroxyphenyl)-n-methyl-, hydrochloride, l-

Structural Information

Molecular Formula
C10H13NO4
SMILES
CNC(CC1=CC(=C(C=C1)O)O)C(=O)O
InChI
InChI=1S/C10H13NO4/c1-11-7(10(14)15)4-6-2-3-8(12)9(13)5-6/h2-3,5,7,11-13H,4H2,1H3,(H,14,15)
InChIKey
QZIWDCLHLOADPK-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

16668
Patents

211.08446 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 145.7
[M+Na]+ 234.07368 154.6
[M+NH4]+ 229.11828 151.2
[M+K]+ 250.04762 151.7
[M-H]- 210.07718 145.0
[M+Na-2H]- 232.05913 148.8
[M]+ 211.08391 146.2
[M]- 211.08501 146.2
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