CID 36143

32462-30-9

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=CC=C1[C@@H](C(=O)O)N)O
InChI
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
InChIKey
LJCWONGJFPCTTL-ZETCQYMHSA-N
Compound name
(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

141
References

5603
Patents

167.05824 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.5
[M+Na]+ 190.04746 140.2
[M-H]- 166.05096 134.3
[M+NH4]+ 185.09206 151.9
[M+K]+ 206.02140 138.3
[M+H-H2O]+ 150.05550 128.1
[M+HCOO]- 212.05644 154.6
[M+CH3COO]- 226.07209 175.7
[M+Na-2H]- 188.03291 137.2
[M]+ 167.05769 130.2
[M]- 167.05879 130.2
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