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

24
Patents

221.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 147.7
[M+Na]+ 244.094418 154.6
[M-H]- 220.097924 150.4
[M+NH4]+ 239.139023 167.9
[M+K]+ 260.068358 152.2
[M+H-H2O]+ 204.102460 142.3
[M+HCOO]- 266.103401 166.9
[M+CH3COO]- 280.119051 188.4
[M+Na-2H]- 242.079866 153.1
[M]+ 221.10465142 145.2
[M]- 221.10574858 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