CID 12526606

67544-71-2

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC=CC2=C1CC(CC2)(C(=O)O)N
InChI
InChI=1S/C12H15NO3/c1-16-10-4-2-3-8-5-6-12(13,11(14)15)7-9(8)10/h2-4H,5-7,13H2,1H3,(H,14,15)
InChIKey
BGWOJKDTFULIKJ-UHFFFAOYSA-N
Compound name
2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

221.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 147.7
[M+Na]+ 244.09442 154.6
[M-H]- 220.09792 150.4
[M+NH4]+ 239.13902 167.9
[M+K]+ 260.06836 152.2
[M+H-H2O]+ 204.10246 142.3
[M+HCOO]- 266.10340 166.9
[M+CH3COO]- 280.11905 188.4
[M+Na-2H]- 242.07987 153.1
[M]+ 221.10465 145.2
[M]- 221.10575 145.2
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