CID 82002

1,4-diisopropoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2013
Patents

194.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.1
[M+Na]+ 217.11990 150.6
[M-H]- 193.12340 147.7
[M+NH4]+ 212.16450 163.8
[M+K]+ 233.09384 150.1
[M+H-H2O]+ 177.12794 138.2
[M+HCOO]- 239.12888 166.2
[M+CH3COO]- 253.14453 187.3
[M+Na-2H]- 215.10535 147.6
[M]+ 194.13013 147.2
[M]- 194.13123 147.2
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