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

3
Patents

240.24532 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 160.5
[M+Na]+ 263.23454 161.2
[M-H]- 239.23804 160.0
[M+NH4]+ 258.27914 175.1
[M+K]+ 279.20848 160.7
[M+H-H2O]+ 223.24258 157.7
[M+HCOO]- 285.24352 174.4
[M+CH3COO]- 299.25917 187.5
[M+Na-2H]- 261.21999 161.3
[M]+ 240.24477 151.3
[M]- 240.24587 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