CID 113767

63716-70-1

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CCN2CC(CCC2C1)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H21NO/c17-15-8-5-12(6-9-15)13-4-7-14-3-1-2-10-16(14)11-13/h5-6,8-9,13-14,17H,1-4,7,10-11H2
InChIKey
ZMIYMHWGEDOPAJ-UHFFFAOYSA-N
Compound name
4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.4
[M+Na]+ 254.15153 158.1
[M-H]- 230.15503 157.6
[M+NH4]+ 249.19613 170.7
[M+K]+ 270.12547 153.7
[M+H-H2O]+ 214.15957 146.1
[M+HCOO]- 276.16051 168.3
[M+CH3COO]- 290.17616 164.1
[M+Na-2H]- 252.13698 158.0
[M]+ 231.16176 146.1
[M]- 231.16286 146.1
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.