CID 64146955

Methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC(=O)C(CC1CCCC2=CC=CC=C12)N
InChI
InChI=1S/C14H19NO2/c1-17-14(16)13(15)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-3,5,8,11,13H,4,6-7,9,15H2,1H3
InChIKey
FMDYADPUIXUSMM-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.0
[M+Na]+ 256.13081 158.4
[M-H]- 232.13431 157.1
[M+NH4]+ 251.17541 172.1
[M+K]+ 272.10475 156.0
[M+H-H2O]+ 216.13885 147.4
[M+HCOO]- 278.13979 172.9
[M+CH3COO]- 292.15544 194.2
[M+Na-2H]- 254.11626 157.0
[M]+ 233.14104 151.1
[M]- 233.14214 151.1
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

patents stripe