CID 125678

Hw 165

Structural Information

Molecular Formula
C13H17NO
SMILES
C1C[C@H]2[C@@H](CCC3=C2C=CC=C3O)NC1
InChI
InChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,3,5,10,12,14-15H,2,4,6-8H2/t10-,12-/m1/s1
InChIKey
RWDHALOKAOEZPC-ZYHUDNBSSA-N
Compound name
(4aR,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

203.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 144.5
[M+Na]+ 226.12023 149.9
[M-H]- 202.12373 144.8
[M+NH4]+ 221.16483 162.8
[M+K]+ 242.09417 144.8
[M+H-H2O]+ 186.12827 137.8
[M+HCOO]- 248.12921 157.5
[M+CH3COO]- 262.14486 154.8
[M+Na-2H]- 224.10568 150.6
[M]+ 203.13046 136.6
[M]- 203.13156 136.6
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