CID 55857

Brn 4701840

Structural Information

Molecular Formula
C19H21NO
SMILES
CC1=CC=C(C=C1)[C@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)O
InChI
InChI=1S/C19H21NO/c1-12-4-6-13(7-5-12)18-16-3-2-10-20-19(16)15-9-8-14(21)11-17(15)18/h4-9,11,16,18-21H,2-3,10H2,1H3/t16-,18-,19+/m0/s1
InChIKey
HCKLXAQTPVFXJC-YTQUADARSA-N
Compound name
(4aS,5R,9bS)-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 166.4
[M+Na]+ 302.151538 173.3
[M-H]- 278.155044 170.6
[M+NH4]+ 297.196143 183.7
[M+K]+ 318.125478 166.1
[M+H-H2O]+ 262.159580 158.9
[M+HCOO]- 324.160521 180.9
[M+CH3COO]- 338.176171 176.5
[M+Na-2H]- 300.136986 168.2
[M]+ 279.16177142 161.0
[M]- 279.16286858 161.0
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

No patent data available for this compound.