CID 466442

Debromolaurinterol

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=CC(=C(C=C1)[C@@]2(CC[C@H]3[C@@]2(C3)C)C)O
InChI
InChI=1S/C15H20O/c1-10-4-5-12(13(16)8-10)14(2)7-6-11-9-15(11,14)3/h4-5,8,11,16H,6-7,9H2,1-3H3/t11-,14+,15+/m1/s1
InChIKey
XQATUTRQDIODTL-UGFHNGPFSA-N
Compound name
2-[(1S,2R,5R)-1,2-dimethyl-2-bicyclo[3.1.0]hexanyl]-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

45
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

patents stripe