CID 10985468

1,3-diisopropoxybenzene

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)OC1=CC(=CC=C1)OC(C)C
InChI
InChI=1S/C12H18O2/c1-9(2)13-11-6-5-7-12(8-11)14-10(3)4/h5-10H,1-4H3
InChIKey
REKFSOLBSHAFDG-UHFFFAOYSA-N
Compound name
1,3-di(propan-2-yloxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

194.13068 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 143.8
[M+Na]+ 217.11990 156.0
[M+NH4]+ 212.16450 152.3
[M+K]+ 233.09384 150.1
[M-H]- 193.12340 145.8
[M+Na-2H]- 215.10535 150.1
[M]+ 194.13013 146.1
[M]- 194.13123 146.1
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

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