CID 68360929

O-prenyltyrosine

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(=CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)N)C
InChI
InChI=1S/C14H19NO3/c1-10(2)7-8-18-12-5-3-11(4-6-12)9-13(15)14(16)17/h3-7,13H,8-9,15H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKey
DVPQPQUTSYCKEZ-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

249.13649 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.143766 159.9
[M+Na]+ 272.125708 164.5
[M-H]- 248.129214 161.1
[M+NH4]+ 267.170313 175.6
[M+K]+ 288.099648 162.0
[M+H-H2O]+ 232.133750 153.2
[M+HCOO]- 294.134691 179.7
[M+CH3COO]- 308.150341 195.7
[M+Na-2H]- 270.111156 159.6
[M]+ 249.13594142 159.2
[M]- 249.13703858 159.2
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