CID 235533

2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(CC2=CC=CC=C21)(C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,12H2,(H,13,14)
InChIKey
CDULPPOISZOUTK-UHFFFAOYSA-N
Compound name
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1696
Patents

191.09464 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.7
[M+Na]+ 214.08386 147.2
[M-H]- 190.08736 143.2
[M+NH4]+ 209.12846 161.9
[M+K]+ 230.05780 144.3
[M+H-H2O]+ 174.09190 135.4
[M+HCOO]- 236.09284 160.1
[M+CH3COO]- 250.10849 181.9
[M+Na-2H]- 212.06931 147.1
[M]+ 191.09409 135.9
[M]- 191.09519 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe