CID 3023303

94022-18-1

Structural Information

Molecular Formula
C16H24O
SMILES
CC1=CC(=CC(=C1C2CCCC2)O)C(C)(C)C
InChI
InChI=1S/C16H24O/c1-11-9-13(16(2,3)4)10-14(17)15(11)12-7-5-6-8-12/h9-10,12,17H,5-8H2,1-4H3
InChIKey
SERZLZFBVGSYLP-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-cyclopentyl-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 156.4
[M+Na]+ 255.171928 163.0
[M-H]- 231.175434 161.9
[M+NH4]+ 250.216533 176.2
[M+K]+ 271.145868 159.4
[M+H-H2O]+ 215.179970 151.2
[M+HCOO]- 277.180911 175.3
[M+CH3COO]- 291.196561 191.2
[M+Na-2H]- 253.157376 157.4
[M]+ 232.18216142 154.4
[M]- 232.18325858 154.4
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.