CID 138260

4461-87-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1181
Patents

118.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 125.1
[M+Na]+ 141.08860 132.1
[M-H]- 117.09210 125.5
[M+NH4]+ 136.13320 147.9
[M+K]+ 157.06254 133.4
[M+H-H2O]+ 101.09664 120.7
[M+HCOO]- 163.09758 148.4
[M+CH3COO]- 177.11323 172.1
[M+Na-2H]- 139.07405 131.0
[M]+ 118.09883 128.7
[M]- 118.09993 128.7
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