CID 67423245

Methyl 3-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1=C(C=C2CCCCC2=C1)N
InChI
InChI=1S/C12H15NO2/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h6-7H,2-5,13H2,1H3
InChIKey
NPONDHXJAVTEEO-UHFFFAOYSA-N
Compound name
methyl 3-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

205.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.5
[M+Na]+ 228.09950 156.0
[M+NH4]+ 223.14410 153.3
[M+K]+ 244.07344 149.8
[M-H]- 204.10300 147.4
[M+Na-2H]- 226.08495 149.7
[M]+ 205.10973 146.7
[M]- 205.11083 146.7
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