CID 43148219

Methyl 3-amino-2-(naphthalen-2-ylmethyl)propanoate hydrochloride

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC(=O)C(CC1=CC2=CC=CC=C2C=C1)CN
InChI
InChI=1S/C15H17NO2/c1-18-15(17)14(10-16)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9-10,16H2,1H3
InChIKey
XOPOIMLONUARDX-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-3-naphthalen-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 156.2
[M+Na]+ 266.11515 162.2
[M-H]- 242.11865 159.9
[M+NH4]+ 261.15975 174.0
[M+K]+ 282.08909 159.2
[M+H-H2O]+ 226.12319 149.3
[M+HCOO]- 288.12413 177.7
[M+CH3COO]- 302.13978 196.5
[M+Na-2H]- 264.10060 160.6
[M]+ 243.12538 156.5
[M]- 243.12648 156.5
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.