CID 27662

L-dihydrophenylalanine

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1C=CC(C=C1)CC(C(=O)O)N
InChI
InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h2-5,7-8H,1,6,10H2,(H,11,12)
InChIKey
IZKPUUZAGQLNCR-UHFFFAOYSA-N
Compound name
2-amino-3-cyclohexa-2,5-dien-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

167.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 136.8
[M+Na]+ 190.08386 141.5
[M-H]- 166.08736 138.0
[M+NH4]+ 185.12846 155.6
[M+K]+ 206.05780 139.9
[M+H-H2O]+ 150.09190 130.9
[M+HCOO]- 212.09284 157.4
[M+CH3COO]- 226.10849 178.2
[M+Na-2H]- 188.06931 140.1
[M]+ 167.09409 132.4
[M]- 167.09519 132.4
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