CID 45089709

Methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1=CC2=C(CCCC2N)C=C1
InChI
InChI=1S/C12H15NO2/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7,11H,2-4,13H2,1H3
InChIKey
SJXJNEAOJHBQIZ-UHFFFAOYSA-N
Compound name
methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

205.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.2
[M+Na]+ 228.09950 150.7
[M-H]- 204.10300 148.0
[M+NH4]+ 223.14410 163.9
[M+K]+ 244.07344 148.3
[M+H-H2O]+ 188.10754 138.1
[M+HCOO]- 250.10848 164.8
[M+CH3COO]- 264.12413 188.4
[M+Na-2H]- 226.08495 148.8
[M]+ 205.10973 141.6
[M]- 205.11083 141.6
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