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]+ 176.10700 133.4
[M+Na]+ 198.08894 139.0
[M-H]- 174.09244 138.6
[M+NH4]+ 193.13354 153.1
[M+K]+ 214.06288 140.4
[M+H-H2O]+ 158.09698 128.9
[M+HCOO]- 220.09792 154.5
[M+CH3COO]- 234.11357 184.7
[M+Na-2H]- 196.07439 139.5
[M]+ 175.09917 126.9
[M]- 175.10027 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