CID 166895

13746-58-2

Structural Information

Molecular Formula
C17H24O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)CC2C3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-15(19-4)14(18)9-11/h5-6,9,12-13,18H,7-8,10H2,1-4H3/t12-,13?,17+/m1/s1
InChIKey
GCUHVRDKQDPZGZ-KOHRXURCSA-N
Compound name
2-methoxy-5-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 160.5
[M+Na]+ 283.16686 171.0
[M+NH4]+ 278.21146 172.7
[M+K]+ 299.14080 164.1
[M-H]- 259.17036 163.0
[M+Na-2H]- 281.15231 166.1
[M]+ 260.17709 163.0
[M]- 260.17819 163.0
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.