CID 3018704

(1,1-dimethylethoxy)cyclododecane

Structural Information

Molecular Formula
C16H32O
SMILES
CC(C)(C)OC1CCCCCCCCCCC1
InChI
InChI=1S/C16H32O/c1-16(2,3)17-15-13-11-9-7-5-4-6-8-10-12-14-15/h15H,4-14H2,1-3H3
InChIKey
PXFNXDHMFIJJCU-UHFFFAOYSA-N
Compound name
(2-methylpropan-2-yl)oxycyclododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.24532 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.252596 160.5
[M+Na]+ 263.234538 161.2
[M-H]- 239.238044 160.0
[M+NH4]+ 258.279143 175.1
[M+K]+ 279.208478 160.7
[M+H-H2O]+ 223.242580 157.7
[M+HCOO]- 285.243521 174.4
[M+CH3COO]- 299.259171 187.5
[M+Na-2H]- 261.219986 161.3
[M]+ 240.24477142 151.3
[M]- 240.24586858 151.3
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