CID 15619

1,1-dimethoxy-2-methylpropane

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(C)C(OC)OC
InChI
InChI=1S/C6H14O2/c1-5(2)6(7-3)8-4/h5-6H,1-4H3
InChIKey
YINGOXPFQFTXIX-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

118.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 125.3
[M+Na]+ 141.08860 132.1
[M-H]- 117.09210 125.8
[M+NH4]+ 136.13320 148.0
[M+K]+ 157.06254 133.8
[M+H-H2O]+ 101.09664 121.0
[M+HCOO]- 163.09758 147.6
[M+CH3COO]- 177.11323 172.9
[M+Na-2H]- 139.07405 129.9
[M]+ 118.09883 128.2
[M]- 118.09993 128.2
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