CID 3022032

2-hexyl-5-propoxyphenol

Structural Information

Molecular Formula
C15H24O2
SMILES
CCCCCCC1=C(C=C(C=C1)OCCC)O
InChI
InChI=1S/C15H24O2/c1-3-5-6-7-8-13-9-10-14(12-15(13)16)17-11-4-2/h9-10,12,16H,3-8,11H2,1-2H3
InChIKey
KBGPGQJKSWLWDM-UHFFFAOYSA-N
Compound name
2-hexyl-5-propoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.7
[M+Na]+ 259.16685 163.9
[M-H]- 235.17035 159.4
[M+NH4]+ 254.21145 175.3
[M+K]+ 275.14079 160.7
[M+H-H2O]+ 219.17489 151.3
[M+HCOO]- 281.17583 179.2
[M+CH3COO]- 295.19148 193.1
[M+Na-2H]- 257.15230 160.7
[M]+ 236.17708 161.6
[M]- 236.17818 161.6
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

No patent data available for this compound.