CID 10198800

Schembl7394098

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCN1CCCC2C1COC3=C2C=C(C=C3)O
InChI
InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3
InChIKey
GSLWRDKYYIQKIM-UHFFFAOYSA-N
Compound name
4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 157.2
[M+Na]+ 270.14645 163.1
[M-H]- 246.14995 159.4
[M+NH4]+ 265.19105 173.4
[M+K]+ 286.12039 160.0
[M+H-H2O]+ 230.15449 149.6
[M+HCOO]- 292.15543 170.2
[M+CH3COO]- 306.17108 167.5
[M+Na-2H]- 268.13190 162.6
[M]+ 247.15668 154.2
[M]- 247.15778 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