CID 211161

2-butyl-6-propylphenol

Structural Information

Molecular Formula
C13H20O
SMILES
CCCCC1=CC=CC(=C1O)CCC
InChI
InChI=1S/C13H20O/c1-3-5-8-12-10-6-9-11(7-4-2)13(12)14/h6,9-10,14H,3-5,7-8H2,1-2H3
InChIKey
DOISHLXLWZJLHG-UHFFFAOYSA-N
Compound name
2-butyl-6-propylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

192.15141 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.0
[M+Na]+ 215.14063 152.2
[M-H]- 191.14413 147.2
[M+NH4]+ 210.18523 164.6
[M+K]+ 231.11457 149.0
[M+H-H2O]+ 175.14867 139.4
[M+HCOO]- 237.14961 167.0
[M+CH3COO]- 251.16526 185.1
[M+Na-2H]- 213.12608 149.3
[M]+ 192.15086 146.7
[M]- 192.15196 146.7
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