CID 90162

23559-40-2

Structural Information

Molecular Formula
C17H24O
SMILES
CC1=CC(=C(C=C1)O)[C@H]2C[C@@H]3CC[C@]2(C3(C)C)C
InChI
InChI=1S/C17H24O/c1-11-5-6-15(18)13(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+/m0/s1
InChIKey
ZRCLPBCDJUWMRD-DXCKQFNASA-N
Compound name
4-methyl-2-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.189986 158.5
[M+Na]+ 267.171928 167.8
[M-H]- 243.175434 164.2
[M+NH4]+ 262.216533 185.3
[M+K]+ 283.145868 162.8
[M+H-H2O]+ 227.179970 154.7
[M+HCOO]- 289.180911 177.5
[M+CH3COO]- 303.196561 171.5
[M+Na-2H]- 265.157376 160.1
[M]+ 244.18216142 158.5
[M]- 244.18325858 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.