CID 3019586

4-allyl-1-butoxy-2-methoxybenzene

Structural Information

Molecular Formula
C14H20O2
SMILES
CCCCOC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKey
UHKLUPWESCIICB-UHFFFAOYSA-N
Compound name
1-butoxy-2-methoxy-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

220.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 150.8
[M+Na]+ 243.135548 158.3
[M-H]- 219.139054 154.3
[M+NH4]+ 238.180153 169.8
[M+K]+ 259.109488 155.6
[M+H-H2O]+ 203.143590 144.6
[M+HCOO]- 265.144531 174.4
[M+CH3COO]- 279.160181 191.9
[M+Na-2H]- 241.120996 155.0
[M]+ 220.14578142 155.6
[M]- 220.14687858 155.6
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