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 142.7
[M+Na]+ 228.09950 147.3
[M-H]- 204.10300 146.4
[M+NH4]+ 223.14410 162.0
[M+K]+ 244.07344 148.5
[M+H-H2O]+ 188.10754 138.3
[M+HCOO]- 250.10848 161.2
[M+CH3COO]- 264.12413 186.5
[M+Na-2H]- 226.08495 148.3
[M]+ 205.10973 135.5
[M]- 205.11083 135.5
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.