CID 122391

29472-96-6

Structural Information

Molecular Formula
C15H24O
SMILES
CCC(C)C1=C(C(=C(C=C1)C)C(C)CC)O
InChI
InChI=1S/C15H24O/c1-6-10(3)13-9-8-12(5)14(15(13)16)11(4)7-2/h8-11,16H,6-7H2,1-5H3
InChIKey
VTCAMIHYZSBDHC-UHFFFAOYSA-N
Compound name
2,6-di(butan-2-yl)-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.4
[M+Na]+ 243.171928 160.2
[M-H]- 219.175434 155.8
[M+NH4]+ 238.216533 172.0
[M+K]+ 259.145868 157.5
[M+H-H2O]+ 203.179970 148.0
[M+HCOO]- 265.180911 172.7
[M+CH3COO]- 279.196561 194.1
[M+Na-2H]- 241.157376 153.4
[M]+ 220.18216142 155.0
[M]- 220.18325858 155.0
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

patents stripe