CID 11745673

1,1-diisopropoxycyclohexane

Structural Information

Molecular Formula
C12H24O2
SMILES
CC(C)OC1(CCCCC1)OC(C)C
InChI
InChI=1S/C12H24O2/c1-10(2)13-12(14-11(3)4)8-6-5-7-9-12/h10-11H,5-9H2,1-4H3
InChIKey
PLNTYOACSMHWBN-UHFFFAOYSA-N
Compound name
1,1-di(propan-2-yloxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

200.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 149.9
[M+Na]+ 223.166848 153.3
[M-H]- 199.170354 152.3
[M+NH4]+ 218.211453 170.8
[M+K]+ 239.140788 153.6
[M+H-H2O]+ 183.174890 144.7
[M+HCOO]- 245.175831 167.5
[M+CH3COO]- 259.191481 186.8
[M+Na-2H]- 221.152296 152.1
[M]+ 200.17708142 148.5
[M]- 200.17817858 148.5
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