CID 14756556

Methyl 8-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1=CC2=C(CCCC2CN)C=C1
InChI
InChI=1S/C13H17NO2/c1-16-13(15)10-6-5-9-3-2-4-11(8-14)12(9)7-10/h5-7,11H,2-4,8,14H2,1H3
InChIKey
MVOKZEPYCPVZGX-UHFFFAOYSA-N
Compound name
methyl 8-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.9
[M+Na]+ 242.11515 155.0
[M-H]- 218.11865 152.5
[M+NH4]+ 237.15975 168.0
[M+K]+ 258.08909 152.3
[M+H-H2O]+ 202.12319 142.5
[M+HCOO]- 264.12413 169.2
[M+CH3COO]- 278.13978 191.5
[M+Na-2H]- 240.10060 153.0
[M]+ 219.12538 146.6
[M]- 219.12648 146.6
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

patents stripe