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]+ 237.184906 157.7
[M+Na]+ 259.166848 163.9
[M-H]- 235.170354 159.4
[M+NH4]+ 254.211453 175.3
[M+K]+ 275.140788 160.7
[M+H-H2O]+ 219.174890 151.3
[M+HCOO]- 281.175831 179.2
[M+CH3COO]- 295.191481 193.1
[M+Na-2H]- 257.152296 160.7
[M]+ 236.17708142 161.6
[M]- 236.17817858 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.