CID 14556108

94006-09-4

Structural Information

Molecular Formula
C16H21NO
SMILES
C1CCC2=C(C1)CCNC2CC3=CC=C(C=C3)O
InChI
InChI=1S/C16H21NO/c18-14-7-5-12(6-8-14)11-16-15-4-2-1-3-13(15)9-10-17-16/h5-8,16-18H,1-4,9-11H2
InChIKey
FLPQWEDKJCCQKB-UHFFFAOYSA-N
Compound name
4-(1,2,3,4,5,6,7,8-octahydroisoquinolin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

243.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 157.4
[M+Na]+ 266.151528 161.4
[M-H]- 242.155034 159.5
[M+NH4]+ 261.196133 172.7
[M+K]+ 282.125468 155.7
[M+H-H2O]+ 226.159570 149.4
[M+HCOO]- 288.160511 171.0
[M+CH3COO]- 302.176161 166.7
[M+Na-2H]- 264.136976 161.2
[M]+ 243.16176142 149.2
[M]- 243.16285858 149.2
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