CID 6366328

4-(p-cumenyl)-4-methylpentan-2-ol

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C1=CC=C(C=C1)C(C)(C)CC(C)O
InChI
InChI=1S/C15H24O/c1-11(2)13-6-8-14(9-7-13)15(4,5)10-12(3)16/h6-9,11-12,16H,10H2,1-5H3
InChIKey
FBICAHFVMKPFJF-UHFFFAOYSA-N
Compound name
4-methyl-4-(4-propan-2-ylphenyl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 154.1
[M+Na]+ 243.171928 159.5
[M-H]- 219.175434 156.1
[M+NH4]+ 238.216533 172.2
[M+K]+ 259.145868 157.2
[M+H-H2O]+ 203.179970 148.8
[M+HCOO]- 265.180911 171.9
[M+CH3COO]- 279.196561 192.1
[M+Na-2H]- 241.157376 156.3
[M]+ 220.18216142 154.5
[M]- 220.18325858 154.5
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

patents stripe