CID 155822076

2503203-03-8

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1=CC(=C(C(=C1)O)CC(C(=O)OC)N)C
InChI
InChI=1S/C12H17NO3/c1-7-4-8(2)9(11(14)5-7)6-10(13)12(15)16-3/h4-5,10,14H,6,13H2,1-3H3
InChIKey
CLRSZVWSTFJKSE-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(2-hydroxy-4,6-dimethylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.9
[M+Na]+ 246.11007 161.2
[M+NH4]+ 241.15467 157.3
[M+K]+ 262.08401 157.1
[M-H]- 222.11357 151.7
[M+Na-2H]- 244.09552 154.5
[M]+ 223.12030 152.3
[M]- 223.12140 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.