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

6
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 154.1
[M+Na]+ 243.17193 159.5
[M-H]- 219.17543 156.1
[M+NH4]+ 238.21653 172.2
[M+K]+ 259.14587 157.2
[M+H-H2O]+ 203.17997 148.8
[M+HCOO]- 265.18091 171.9
[M+CH3COO]- 279.19656 192.1
[M+Na-2H]- 241.15738 156.3
[M]+ 220.18216 154.5
[M]- 220.18326 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