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

22
Patents

191.09464 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 139.7
[M+Na]+ 214.083858 146.2
[M-H]- 190.087364 142.2
[M+NH4]+ 209.128463 159.1
[M+K]+ 230.057798 143.1
[M+H-H2O]+ 174.091900 134.1
[M+HCOO]- 236.092841 159.1
[M+CH3COO]- 250.108491 183.6
[M+Na-2H]- 212.069306 144.4
[M]+ 191.09409142 135.0
[M]- 191.09518858 135.0
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