CID 3023461

1-ethoxy-1,3-dimethoxypentane

Structural Information

Molecular Formula
C9H20O3
SMILES
CCC(CC(OC)OCC)OC
InChI
InChI=1S/C9H20O3/c1-5-8(10-3)7-9(11-4)12-6-2/h8-9H,5-7H2,1-4H3
InChIKey
XAPMEYQVHUTUEC-UHFFFAOYSA-N
Compound name
1-ethoxy-1,3-dimethoxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.148526 142.5
[M+Na]+ 199.130468 148.0
[M-H]- 175.133974 142.3
[M+NH4]+ 194.175073 162.8
[M+K]+ 215.104408 149.4
[M+H-H2O]+ 159.138510 137.3
[M+HCOO]- 221.139451 164.0
[M+CH3COO]- 235.155101 183.9
[M+Na-2H]- 197.115916 145.4
[M]+ 176.14070142 148.0
[M]- 176.14179858 148.0
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

No patent data available for this compound.