CID 11390308

Iso-debromo-laurinterol

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=C(C=C(C=C1)[C@@]2(CC[C@H]3[C@@]2(C3)C)C)O
InChI
InChI=1S/C15H20O/c1-10-4-5-11(8-13(10)16)14(2)7-6-12-9-15(12,14)3/h4-5,8,12,16H,6-7,9H2,1-3H3/t12-,14+,15+/m1/s1
InChIKey
CVIXDDABZMVCMV-SNPRPXQTSA-N
Compound name
5-[(1S,2R,5R)-1,2-dimethyl-2-bicyclo[3.1.0]hexanyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 147.1
[M+Na]+ 239.14063 158.2
[M-H]- 215.14413 154.9
[M+NH4]+ 234.18523 167.5
[M+K]+ 255.11457 154.6
[M+H-H2O]+ 199.14867 143.3
[M+HCOO]- 261.14961 167.1
[M+CH3COO]- 275.16526 160.7
[M+Na-2H]- 237.12608 152.1
[M]+ 216.15086 150.1
[M]- 216.15196 150.1
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.