CID 180501

Ethanol, 2-(butylphenoxy)-

Structural Information

Molecular Formula
C12H18O2
SMILES
CCCCC1=CC=CC=C1OCCO
InChI
InChI=1S/C12H18O2/c1-2-3-6-11-7-4-5-8-12(11)14-10-9-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3
InChIKey
QKAHUMCAGDGQQU-UHFFFAOYSA-N
Compound name
2-(2-butylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

194.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.2
[M+Na]+ 217.11990 156.6
[M+NH4]+ 212.16450 152.5
[M+K]+ 233.09384 149.2
[M-H]- 193.12340 146.1
[M+Na-2H]- 215.10535 150.6
[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

No literature data available for this compound.

Patent stripe

patents stripe