CID 1783793

Bornyl-o-cresol

Structural Information

Molecular Formula
C17H24O
SMILES
CC1=C(C=CC(=C1)[C@H]2C[C@@H]3CC[C@]2(C3(C)C)C)O
InChI
InChI=1S/C17H24O/c1-11-9-12(5-6-15(11)18)14-10-13-7-8-17(14,4)16(13,2)3/h5-6,9,13-14,18H,7-8,10H2,1-4H3/t13-,14+,17+/m0/s1
InChIKey
IPMPHMRYTZWESP-JJRVBVJISA-N
Compound name
2-methyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 157.3
[M+Na]+ 267.17193 168.4
[M+NH4]+ 262.21653 170.1
[M+K]+ 283.14587 160.9
[M-H]- 243.17543 160.4
[M+Na-2H]- 265.15738 163.4
[M]+ 244.18216 160.1
[M]- 244.18326 160.1
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