CID 69224

616-55-7

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3
InChIKey
ZZZRZBIPCKQDQR-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1826
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.9
[M+Na]+ 243.17193 160.3
[M-H]- 219.17543 155.1
[M+NH4]+ 238.21653 171.2
[M+K]+ 259.14587 157.8
[M+H-H2O]+ 203.17997 147.8
[M+HCOO]- 265.18091 170.2
[M+CH3COO]- 279.19656 191.9
[M+Na-2H]- 241.15738 156.2
[M]+ 220.18216 153.8
[M]- 220.18326 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe