CID 214946

6-exo-isocamphanyl-3,4-xylenol

Structural Information

Molecular Formula
C18H26O
SMILES
CC1C2CC(C1(C)C)CC2C3=C(C=C(C(=C3)C)C)O
InChI
InChI=1S/C18H26O/c1-10-6-16(17(19)7-11(10)2)15-9-13-8-14(15)12(3)18(13,4)5/h6-7,12-15,19H,8-9H2,1-5H3
InChIKey
QVKROXHNVAKLSP-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-(5,5,6-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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 162.8
[M+Na]+ 281.18758 172.3
[M-H]- 257.19108 168.6
[M+NH4]+ 276.23218 187.6
[M+K]+ 297.16152 167.2
[M+H-H2O]+ 241.19562 159.2
[M+HCOO]- 303.19656 181.3
[M+CH3COO]- 317.21221 199.9
[M+Na-2H]- 279.17303 161.5
[M]+ 258.19781 163.5
[M]- 258.19891 163.5
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

patents stripe