CID 57481718

4-(2,4-dimethylheptan-3-yl)phenol

Structural Information

Molecular Formula
C15H24O
SMILES
CCCC(C)C(C1=CC=C(C=C1)O)C(C)C
InChI
InChI=1S/C15H24O/c1-5-6-12(4)15(11(2)3)13-7-9-14(16)10-8-13/h7-12,15-16H,5-6H2,1-4H3
InChIKey
KQABNOBNXAJBFQ-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylheptan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

220.18271 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.4
[M+Na]+ 243.171928 160.1
[M-H]- 219.175434 157.1
[M+NH4]+ 238.216533 173.3
[M+K]+ 259.145868 157.8
[M+H-H2O]+ 203.179970 149.5
[M+HCOO]- 265.180911 173.7
[M+CH3COO]- 279.196561 192.6
[M+Na-2H]- 241.157376 155.5
[M]+ 220.18216142 155.6
[M]- 220.18325858 155.6
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