CID 53412054

4-(3-ethylheptan-2-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 155.6
[M+Na]+ 243.17193 160.4
[M-H]- 219.17543 157.2
[M+NH4]+ 238.21653 173.5
[M+K]+ 259.14587 157.6
[M+H-H2O]+ 203.17997 149.5
[M+HCOO]- 265.18091 174.9
[M+CH3COO]- 279.19656 191.7
[M+Na-2H]- 241.15738 156.8
[M]+ 220.18216 156.3
[M]- 220.18326 156.3
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

No patent data available for this compound.