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]+ 259.205636 161.6
[M+Na]+ 281.187578 171.4
[M-H]- 257.191084 167.5
[M+NH4]+ 276.232183 188.2
[M+K]+ 297.161518 166.2
[M+H-H2O]+ 241.195620 158.2
[M+HCOO]- 303.196561 180.2
[M+CH3COO]- 317.212211 198.4
[M+Na-2H]- 279.173026 162.2
[M]+ 258.19781142 162.4
[M]- 258.19890858 162.4
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.