CID 21119680

Dtxsid90884639

Structural Information

Molecular Formula
C17H24O2
SMILES
C[C@H]1[C@H]2C[C@@H](C1(C)C)C[C@@H]2C3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-16(19-4)15(18)7-11/h5-7,10,12-14,18H,8-9H2,1-4H3/t10-,12+,13+,14+/m0/s1
InChIKey
HOWLDRFFEKSVNK-IGHBBLSQSA-N
Compound name
2-methoxy-5-[(1R,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 162.4
[M+Na]+ 283.16686 171.3
[M-H]- 259.17036 168.0
[M+NH4]+ 278.21146 186.7
[M+K]+ 299.14080 167.0
[M+H-H2O]+ 243.17490 158.4
[M+HCOO]- 305.17584 181.5
[M+CH3COO]- 319.19149 197.8
[M+Na-2H]- 281.15231 162.3
[M]+ 260.17709 163.9
[M]- 260.17819 163.9
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.