CID 195285

Cgs-15873a

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCN1CCC[C@@H]2[C@@H]1COC3=C2C=CC=C3O
InChI
InChI=1S/C15H21NO2/c1-2-8-16-9-4-6-11-12-5-3-7-14(17)15(12)18-10-13(11)16/h3,5,7,11,13,17H,2,4,6,8-10H2,1H3/t11-,13-/m0/s1
InChIKey
BJMSUUATNLDQQZ-AAEUAGOBSA-N
Compound name
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.2
[M+Na]+ 270.146448 163.1
[M-H]- 246.149954 159.4
[M+NH4]+ 265.191053 173.4
[M+K]+ 286.120388 160.0
[M+H-H2O]+ 230.154490 149.6
[M+HCOO]- 292.155431 170.2
[M+CH3COO]- 306.171081 167.5
[M+Na-2H]- 268.131896 162.6
[M]+ 247.15668142 154.2
[M]- 247.15777858 154.2
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