CID 24697654

5-amino-6,7,8,9-tetrahydro-5h-benzo[7]annulene-5-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CCC(C2=CC=CC=C2C1)(C(=O)O)N
InChI
InChI=1S/C12H15NO2/c13-12(11(14)15)8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7H,3-4,6,8,13H2,(H,14,15)
InChIKey
OHTWNHRAUQJEQT-UHFFFAOYSA-N
Compound name
5-amino-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 140.7
[M+Na]+ 228.09950 149.3
[M+NH4]+ 223.14410 149.5
[M+K]+ 244.07344 143.9
[M-H]- 204.10300 142.5
[M+Na-2H]- 226.08495 146.9
[M]+ 205.10973 142.4
[M]- 205.11083 142.4
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

No patent data available for this compound.