CID 3022569

6-tert-butyl-2-cyclopentyl-4-(methoxymethyl)phenol

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C2CCCC2)COC
InChI
InChI=1S/C17H26O2/c1-17(2,3)15-10-12(11-19-4)9-14(16(15)18)13-7-5-6-8-13/h9-10,13,18H,5-8,11H2,1-4H3
InChIKey
QFKRWIHLPCNTDS-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-cyclopentyl-4-(methoxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 164.6
[M+Na]+ 285.182488 170.6
[M-H]- 261.185994 169.8
[M+NH4]+ 280.227093 183.0
[M+K]+ 301.156428 167.3
[M+H-H2O]+ 245.190530 158.8
[M+HCOO]- 307.191471 183.2
[M+CH3COO]- 321.207121 196.3
[M+Na-2H]- 283.167936 165.0
[M]+ 262.19272142 164.3
[M]- 262.19381858 164.3
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.