CID 11182932

2-amino-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CCC(=O)C2=C(C1)C=C(C=C2)N
InChI
InChI=1S/C11H13NO/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7H,1-4,12H2
InChIKey
RPQHEIVMOVOUEJ-UHFFFAOYSA-N
Compound name
2-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 133.4
[M+Na]+ 198.088938 139.0
[M-H]- 174.092444 138.6
[M+NH4]+ 193.133543 153.1
[M+K]+ 214.062878 140.4
[M+H-H2O]+ 158.096980 128.9
[M+HCOO]- 220.097921 154.5
[M+CH3COO]- 234.113571 184.7
[M+Na-2H]- 196.074386 139.5
[M]+ 175.09917142 126.9
[M]- 175.10026858 126.9
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