CID 104313

2,2-diethoxybutane

Structural Information

Molecular Formula
C8H18O2
SMILES
CCC(C)(OCC)OCC
InChI
InChI=1S/C8H18O2/c1-5-8(4,9-6-2)10-7-3/h5-7H2,1-4H3
InChIKey
JKUNNIMQUQJDKW-UHFFFAOYSA-N
Compound name
2,2-diethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

146.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.13796 133.9
[M+Na]+ 169.11990 140.9
[M-H]- 145.12340 134.3
[M+NH4]+ 164.16450 155.8
[M+K]+ 185.09384 141.5
[M+H-H2O]+ 129.12794 129.8
[M+HCOO]- 191.12888 156.1
[M+CH3COO]- 205.14453 177.6
[M+Na-2H]- 167.10535 140.7
[M]+ 146.13013 138.5
[M]- 146.13123 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe