CID 25011

1,3-dimethoxybutane

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(CCOC)OC
InChI
InChI=1S/C6H14O2/c1-6(8-3)4-5-7-2/h6H,4-5H2,1-3H3
InChIKey
JCRQEORWPZVZJP-UHFFFAOYSA-N
Compound name
1,3-dimethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

118.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 124.2
[M+Na]+ 141.08860 134.6
[M+NH4]+ 136.13320 132.4
[M+K]+ 157.06254 129.5
[M-H]- 117.09210 123.7
[M+Na-2H]- 139.07405 128.2
[M]+ 118.09883 125.4
[M]- 118.09993 125.4
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