CID 13739730

104877-13-6

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CCC2=CC(=C(C=C2C1)C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h5-6H,1-4,12H2,(H,13,14)
InChIKey
BVWFLRKXHQUAKM-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

191.09464 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.1
[M+Na]+ 214.08386 151.2
[M+NH4]+ 209.12846 148.7
[M+K]+ 230.05780 145.6
[M-H]- 190.08736 142.5
[M+Na-2H]- 212.06931 145.0
[M]+ 191.09409 142.1
[M]- 191.09519 142.1
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