CID 3020084

84697-14-3

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C)(C)OC1=CC=C(C=C1)CCOC
InChI
InChI=1S/C13H20O2/c1-13(2,3)15-12-7-5-11(6-8-12)9-10-14-4/h5-8H,9-10H2,1-4H3
InChIKey
HBOCSQWJBVYGQZ-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 148.6
[M+Na]+ 231.135548 155.8
[M-H]- 207.139054 152.2
[M+NH4]+ 226.180153 168.1
[M+K]+ 247.109488 154.5
[M+H-H2O]+ 191.143590 142.9
[M+HCOO]- 253.144531 170.8
[M+CH3COO]- 267.160181 188.3
[M+Na-2H]- 229.120996 154.7
[M]+ 208.14578142 152.8
[M]- 208.14687858 152.8
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