CID 41896

6,7,8,9-tetrahydro-5h-benzo[7]annulen-6-amine

Structural Information

Molecular Formula
C11H15N
SMILES
C1CC(CC2=CC=CC=C2C1)N
InChI
InChI=1S/C11H15N/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5,11H,3,6-8,12H2
InChIKey
MDVRGZASGHPBAG-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

161.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 132.4
[M+Na]+ 184.10967 142.8
[M+NH4]+ 179.15427 141.9
[M+K]+ 200.08361 137.2
[M-H]- 160.11317 136.2
[M+Na-2H]- 182.09512 139.3
[M]+ 161.11990 135.0
[M]- 161.12100 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

literature stripe

Patent stripe

patents stripe