CID 19046652

3-methoxy-2-methyl-5-pentylphenol

Structural Information

Molecular Formula
C13H20O2
SMILES
CCCCCC1=CC(=C(C(=C1)OC)C)O
InChI
InChI=1S/C13H20O2/c1-4-5-6-7-11-8-12(14)10(2)13(9-11)15-3/h8-9,14H,4-7H2,1-3H3
InChIKey
DVVUTMXGRUEWAO-UHFFFAOYSA-N
Compound name
3-methoxy-2-methyl-5-pentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

208.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 147.6
[M+Na]+ 231.13555 155.7
[M-H]- 207.13905 150.3
[M+NH4]+ 226.18015 166.8
[M+K]+ 247.10949 153.1
[M+H-H2O]+ 191.14359 142.1
[M+HCOO]- 253.14453 169.9
[M+CH3COO]- 267.16018 188.3
[M+Na-2H]- 229.12100 151.2
[M]+ 208.14578 151.2
[M]- 208.14688 151.2
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