CID 92279122

Dtxsid30884638

Structural Information

Molecular Formula
C17H24O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@H]2C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-14(18)15(9-11)19-4/h5-6,9,12-13,18H,7-8,10H2,1-4H3/t12-,13+,17+/m1/s1
InChIKey
FDPFKODSGDDVCR-IGCXYCKISA-N
Compound name
2-methoxy-4-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

260.17764 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 161.7
[M+Na]+ 283.16686 170.9
[M-H]- 259.17036 167.4
[M+NH4]+ 278.21146 187.8
[M+K]+ 299.14080 166.5
[M+H-H2O]+ 243.17490 157.9
[M+HCOO]- 305.17584 180.9
[M+CH3COO]- 319.19149 196.2
[M+Na-2H]- 281.15231 163.5
[M]+ 260.17709 163.2
[M]- 260.17819 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.