CID 13531071

14366-59-7

Structural Information

Molecular Formula
C12H18O
SMILES
CC(C)C1=CC=CC=C1OC(C)C
InChI
InChI=1S/C12H18O/c1-9(2)11-7-5-6-8-12(11)13-10(3)4/h5-10H,1-4H3
InChIKey
KPXDDAHZRPCKJH-UHFFFAOYSA-N
Compound name
1-propan-2-yl-2-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

178.13577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 140.6
[M+Na]+ 201.12499 147.2
[M-H]- 177.12849 144.3
[M+NH4]+ 196.16959 161.0
[M+K]+ 217.09893 146.1
[M+H-H2O]+ 161.13303 134.9
[M+HCOO]- 223.13397 162.5
[M+CH3COO]- 237.14962 185.3
[M+Na-2H]- 199.11044 144.1
[M]+ 178.13522 142.2
[M]- 178.13632 142.2
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