CID 144634

1,1,1-trimethoxy-3-methylbutane

Structural Information

Molecular Formula
C8H18O3
SMILES
CC(C)CC(OC)(OC)OC
InChI
InChI=1S/C8H18O3/c1-7(2)6-8(9-3,10-4)11-5/h7H,6H2,1-5H3
InChIKey
WMHIOPJVXYRZFG-UHFFFAOYSA-N
Compound name
1,1,1-trimethoxy-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 136.8
[M+Na]+ 185.11482 143.5
[M-H]- 161.11832 137.2
[M+NH4]+ 180.15942 158.0
[M+K]+ 201.08876 145.1
[M+H-H2O]+ 145.12286 132.5
[M+HCOO]- 207.12380 158.2
[M+CH3COO]- 221.13945 180.4
[M+Na-2H]- 183.10027 142.4
[M]+ 162.12505 142.2
[M]- 162.12615 142.2
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