CID 31906

Brn 5738849

Structural Information

Molecular Formula
C11H15NO
SMILES
C1C[C@@H]([C@@H](C2=CC=CC=C2C1)O)N
InChI
InChI=1S/C11H15NO/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6,10-11,13H,3,5,7,12H2/t10-,11+/m0/s1
InChIKey
GHSOGAWYQSTDAJ-WDEREUQCSA-N
Compound name
(5R,6S)-6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 134.9
[M+Na]+ 200.10459 139.9
[M-H]- 176.10809 138.7
[M+NH4]+ 195.14919 153.9
[M+K]+ 216.07853 141.1
[M+H-H2O]+ 160.11263 130.6
[M+HCOO]- 222.11357 154.4
[M+CH3COO]- 236.12922 146.9
[M+Na-2H]- 198.09004 140.5
[M]+ 177.11482 127.4
[M]- 177.11592 127.4
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.