CID 3085905

Isobornyldimethylphenol

Structural Information

Molecular Formula
C18H26O
SMILES
CC1=CC(=C(C(=C1)[C@H]2C[C@@]3(CC[C@H]2C3(C)C)C)O)C
InChI
InChI=1S/C18H26O/c1-11-8-12(2)16(19)13(9-11)14-10-18(5)7-6-15(14)17(18,3)4/h8-9,14-15,19H,6-7,10H2,1-5H3/t14-,15-,18+/m1/s1
InChIKey
PFQAEXWCTNWZTN-RKVPGOIHSA-N
Compound name
2,4-dimethyl-6-[(1R,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.19836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 161.0
[M+Na]+ 281.18758 172.2
[M+NH4]+ 276.23218 173.6
[M+K]+ 297.16152 164.7
[M-H]- 257.19108 164.0
[M+Na-2H]- 279.17303 166.6
[M]+ 258.19781 163.8
[M]- 258.19891 163.8
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.