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

23
Patents

205.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 144.2
[M+Na]+ 228.099498 150.7
[M-H]- 204.103004 148.0
[M+NH4]+ 223.144103 163.9
[M+K]+ 244.073438 148.3
[M+H-H2O]+ 188.107540 138.1
[M+HCOO]- 250.108481 164.8
[M+CH3COO]- 264.124131 188.4
[M+Na-2H]- 226.084946 148.8
[M]+ 205.10973142 141.6
[M]- 205.11082858 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