CID 89731

22488-23-9

Structural Information

Molecular Formula
C17H24O
SMILES
CC1=CC(=C(C=C1)[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)C)O
InChI
InChI=1S/C17H24O/c1-11-5-6-13(15(18)9-11)14-10-12-7-8-17(14,4)16(12,2)3/h5-6,9,12,14,18H,7-8,10H2,1-4H3/t12-,14+,17+/m1/s1
InChIKey
NYYGACIUGBJQHR-IFIJOSMWSA-N
Compound name
5-methyl-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 158.5
[M+Na]+ 267.17193 167.8
[M-H]- 243.17543 164.2
[M+NH4]+ 262.21653 185.3
[M+K]+ 283.14587 162.8
[M+H-H2O]+ 227.17997 154.7
[M+HCOO]- 289.18091 177.5
[M+CH3COO]- 303.19656 171.5
[M+Na-2H]- 265.15738 160.1
[M]+ 244.18216 158.5
[M]- 244.18326 158.5
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

No patent data available for this compound.