CID 20329743

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

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(C2=C(C1)C=CC(=C2)N)C(=O)O
InChI
InChI=1S/C11H13NO2/c12-8-5-4-7-2-1-3-9(11(13)14)10(7)6-8/h4-6,9H,1-3,12H2,(H,13,14)
InChIKey
DQVXFLLJRHGYFD-UHFFFAOYSA-N
Compound name
7-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.7
[M+Na]+ 214.08386 146.2
[M-H]- 190.08736 142.2
[M+NH4]+ 209.12846 159.1
[M+K]+ 230.05780 143.1
[M+H-H2O]+ 174.09190 134.1
[M+HCOO]- 236.09284 159.1
[M+CH3COO]- 250.10849 183.6
[M+Na-2H]- 212.06931 144.4
[M]+ 191.09409 135.0
[M]- 191.09519 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