CID 109996

2,2-dimethoxyundecane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCCCCCCCCC(C)(OC)OC
InChI
InChI=1S/C13H28O2/c1-5-6-7-8-9-10-11-12-13(2,14-3)15-4/h5-12H2,1-4H3
InChIKey
YNICHAOCDICNOT-UHFFFAOYSA-N
Compound name
2,2-dimethoxyundecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

216.20892 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 157.3
[M+Na]+ 239.19814 162.1
[M-H]- 215.20164 156.6
[M+NH4]+ 234.24274 176.4
[M+K]+ 255.17208 161.4
[M+H-H2O]+ 199.20618 152.1
[M+HCOO]- 261.20712 177.8
[M+CH3COO]- 275.22277 192.7
[M+Na-2H]- 237.18359 161.4
[M]+ 216.20837 163.8
[M]- 216.20947 163.8
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