CID 1785998

2-methoxy-6-[(1r,2s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]phenol

Structural Information

Molecular Formula
C17H24O2
SMILES
C[C@]12CC[C@H](C1(C)C)C[C@@H]2C3=C(C(=CC=C3)OC)O
InChI
InChI=1S/C17H24O2/c1-16(2)11-8-9-17(16,3)13(10-11)12-6-5-7-14(19-4)15(12)18/h5-7,11,13,18H,8-10H2,1-4H3/t11-,13+,17+/m0/s1
InChIKey
YPUMYHHWYPOEPH-XTQGRXLLSA-N
Compound name
2-methoxy-6-[(1R,2S,4S)-1,7,7-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

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.184916 161.7
[M+Na]+ 283.166858 170.9
[M-H]- 259.170364 167.4
[M+NH4]+ 278.211463 187.8
[M+K]+ 299.140798 166.5
[M+H-H2O]+ 243.174900 157.9
[M+HCOO]- 305.175841 180.9
[M+CH3COO]- 319.191491 196.2
[M+Na-2H]- 281.152306 163.5
[M]+ 260.17709142 163.2
[M]- 260.17818858 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.