CID 442525

1143-54-0

Structural Information

Molecular Formula
C15H23NO
SMILES
C[C@H]1CC[C@H]2[C@@H](CC[C@H](N2C1)C3=COC=C3)C
InChI
InChI=1S/C15H23NO/c1-11-3-5-14-12(2)4-6-15(16(14)9-11)13-7-8-17-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-/m0/s1
InChIKey
VACYOTYBTLYIEB-NEBZKDRISA-N
Compound name
(1R,4S,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

7
Patents

233.17796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 156.2
[M+Na]+ 256.167178 161.5
[M-H]- 232.170684 162.0
[M+NH4]+ 251.211783 174.3
[M+K]+ 272.141118 159.1
[M+H-H2O]+ 216.175220 148.9
[M+HCOO]- 278.176161 171.6
[M+CH3COO]- 292.191811 167.4
[M+Na-2H]- 254.152626 157.4
[M]+ 233.17741142 151.6
[M]- 233.17850858 151.6
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

patents stripe