CID 161949

1-methoxy-1-methylcyclododecane

Structural Information

Molecular Formula
C14H28O
SMILES
CC1(CCCCCCCCCCC1)OC
InChI
InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3
InChIKey
QACBYNLZEUNZSC-UHFFFAOYSA-N
Compound name
1-methoxy-1-methylcyclododecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

388
Patents

212.21402 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 153.6
[M+Na]+ 235.20324 162.9
[M+NH4]+ 230.24784 163.2
[M+K]+ 251.17718 153.6
[M-H]- 211.20674 156.7
[M+Na-2H]- 233.18869 160.2
[M]+ 212.21347 155.6
[M]- 212.21457 155.6
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