CID 20670498

1-ethoxy-2,2-bis(ethoxymethyl)butane

Structural Information

Molecular Formula
C12H26O3
SMILES
CCC(COCC)(COCC)COCC
InChI
InChI=1S/C12H26O3/c1-5-12(9-13-6-2,10-14-7-3)11-15-8-4/h5-11H2,1-4H3
InChIKey
GNKJFTPZLJXDKO-UHFFFAOYSA-N
Compound name
1-ethoxy-2,2-bis(ethoxymethyl)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

218.1882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19548 153.5
[M+Na]+ 241.17742 162.2
[M+NH4]+ 236.22202 160.0
[M+K]+ 257.15136 156.6
[M-H]- 217.18092 151.8
[M+Na-2H]- 239.16287 155.7
[M]+ 218.18765 154.1
[M]- 218.18875 154.1
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

patents stripe