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
4
Annotation Hits

0
References

389
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 153.3
[M+Na]+ 235.20324 155.2
[M-H]- 211.20674 153.1
[M+NH4]+ 230.24784 170.8
[M+K]+ 251.17718 155.0
[M+H-H2O]+ 195.21128 150.7
[M+HCOO]- 257.21222 169.3
[M+CH3COO]- 271.22787 181.4
[M+Na-2H]- 233.18869 155.2
[M]+ 212.21347 144.0
[M]- 212.21457 144.0
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