CID 104224

Undecanal dimethyl acetal

Structural Information

Molecular Formula
C13H28O2
SMILES
CCCCCCCCCCC(OC)OC
InChI
InChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h13H,4-12H2,1-3H3
InChIKey
FBJUQTUWWCVIDH-UHFFFAOYSA-N
Compound name
1,1-dimethoxyundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

355
Patents

216.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 157.9
[M+Na]+ 239.19814 161.9
[M-H]- 215.20164 156.9
[M+NH4]+ 234.24274 176.7
[M+K]+ 255.17208 161.3
[M+H-H2O]+ 199.20618 152.0
[M+HCOO]- 261.20712 178.8
[M+CH3COO]- 275.22277 193.1
[M+Na-2H]- 237.18359 159.9
[M]+ 216.20837 164.1
[M]- 216.20947 164.1
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

No patent data available for this compound.