CID 53131

74851-17-5

Structural Information

Molecular Formula
C18H24O
SMILES
CC1(C2CC=C(C1C2)CCOCC3=CC=CC=C3)C
InChI
InChI=1S/C18H24O/c1-18(2)16-9-8-15(17(18)12-16)10-11-19-13-14-6-4-3-5-7-14/h3-8,16-17H,9-13H2,1-2H3
InChIKey
VZTCOMJNYWLOOB-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2-(2-phenylmethoxyethyl)bicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.1827 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 155.9
[M+Na]+ 279.17192 164.7
[M+NH4]+ 274.21652 164.6
[M+K]+ 295.14586 155.5
[M-H]- 255.17542 155.3
[M+Na-2H]- 277.15737 157.5
[M]+ 256.18215 156.2
[M]- 256.18325 156.2
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