CID 14757449

3-methoxy-5-pentyl-phenol

Structural Information

Molecular Formula
C12H18O2
SMILES
CCCCCC1=CC(=CC(=C1)OC)O
InChI
InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)9-12(8-10)14-2/h7-9,13H,3-6H2,1-2H3
InChIKey
MWWIDYNYLZQEQP-UHFFFAOYSA-N
Compound name
3-methoxy-5-pentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

194.13068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 143.7
[M+Na]+ 217.11990 151.3
[M-H]- 193.12340 146.1
[M+NH4]+ 212.16450 163.1
[M+K]+ 233.09384 148.8
[M+H-H2O]+ 177.12794 138.1
[M+HCOO]- 239.12888 166.3
[M+CH3COO]- 253.14453 184.1
[M+Na-2H]- 215.10535 148.5
[M]+ 194.13013 146.5
[M]- 194.13123 146.5
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