CID 56840988

N-allylnorcyclazocine

Structural Information

Molecular Formula
C18H24O
SMILES
CC1[C@H]2CC3=C([C@@]1(CCC2CC=C)C)C=C(C=C3)O
InChI
InChI=1S/C18H24O/c1-4-5-13-8-9-18(3)12(2)16(13)10-14-6-7-15(19)11-17(14)18/h4,6-7,11-13,16,19H,1,5,8-10H2,2-3H3/t12?,13?,16-,18-/m1/s1
InChIKey
WLVYUJTYWCOHMT-ZBIUXTHTSA-N
Compound name
(1R,9S)-1,13-dimethyl-10-prop-2-enyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

409
References

9
Patents

256.1827 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 161.6
[M+Na]+ 279.171918 168.6
[M-H]- 255.175424 163.5
[M+NH4]+ 274.216523 183.1
[M+K]+ 295.145858 162.9
[M+H-H2O]+ 239.179960 155.6
[M+HCOO]- 301.180901 175.4
[M+CH3COO]- 315.196551 199.0
[M+Na-2H]- 277.157366 165.9
[M]+ 256.18215142 158.8
[M]- 256.18324858 158.8
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