CID 109183

1,1-dimethoxy-2-methylundecane

Structural Information

Molecular Formula
C14H30O2
SMILES
CCCCCCCCCC(C)C(OC)OC
InChI
InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3
InChIKey
NJXYRZMLVYMJHM-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-methylundecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

335
Patents

230.22458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 159.9
[M+Na]+ 253.21380 168.3
[M+NH4]+ 248.25840 166.6
[M+K]+ 269.18774 162.1
[M-H]- 229.21730 158.8
[M+Na-2H]- 251.19925 161.4
[M]+ 230.22403 160.6
[M]- 230.22513 160.6
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