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

0
Patents

256.1827 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 161.6
[M+Na]+ 279.17192 168.6
[M-H]- 255.17542 163.5
[M+NH4]+ 274.21652 183.1
[M+K]+ 295.14586 162.9
[M+H-H2O]+ 239.17996 155.6
[M+HCOO]- 301.18090 175.4
[M+CH3COO]- 315.19655 199.0
[M+Na-2H]- 277.15737 165.9
[M]+ 256.18215 158.8
[M]- 256.18325 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

No patent data available for this compound.