CID 66097658

Methyl 4-amino-3-(2-methoxyphenyl)-3-methylbutanoate hydrochloride

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(CC(=O)OC)(CN)C1=CC=CC=C1OC
InChI
InChI=1S/C13H19NO3/c1-13(9-14,8-12(15)17-3)10-6-4-5-7-11(10)16-2/h4-7H,8-9,14H2,1-3H3
InChIKey
FTJYLPHHKNWQGB-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-(2-methoxyphenyl)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.2
[M+Na]+ 260.12571 161.4
[M-H]- 236.12921 158.2
[M+NH4]+ 255.17031 172.6
[M+K]+ 276.09965 160.1
[M+H-H2O]+ 220.13375 148.9
[M+HCOO]- 282.13469 177.2
[M+CH3COO]- 296.15034 194.5
[M+Na-2H]- 258.11116 159.4
[M]+ 237.13594 157.6
[M]- 237.13704 157.6
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.