CID 4638544

1,9-diethoxynonane

Structural Information

Molecular Formula
C13H28O2
SMILES
CCOCCCCCCCCCOCC
InChI
InChI=1S/C13H28O2/c1-3-14-12-10-8-6-5-7-9-11-13-15-4-2/h3-13H2,1-2H3
InChIKey
UGTSXCRMHFOFNS-UHFFFAOYSA-N
Compound name
1,9-diethoxynonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.20892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 157.0
[M+Na]+ 239.19814 161.4
[M-H]- 215.20164 156.0
[M+NH4]+ 234.24274 175.9
[M+K]+ 255.17208 160.3
[M+H-H2O]+ 199.20618 151.1
[M+HCOO]- 261.20712 179.0
[M+CH3COO]- 275.22277 192.4
[M+Na-2H]- 237.18359 160.4
[M]+ 216.20837 164.0
[M]- 216.20947 164.0
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