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]+ 220.133206 148.9
[M+Na]+ 242.115148 155.0
[M-H]- 218.118654 152.5
[M+NH4]+ 237.159753 168.0
[M+K]+ 258.089088 152.3
[M+H-H2O]+ 202.123190 142.5
[M+HCOO]- 264.124131 169.2
[M+CH3COO]- 278.139781 191.5
[M+Na-2H]- 240.100596 153.0
[M]+ 219.12538142 146.6
[M]- 219.12647858 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