CID 136864

2,2-dimethoxy-4-methylpentane

Structural Information

Molecular Formula
C8H18O2
SMILES
CC(C)CC(C)(OC)OC
InChI
InChI=1S/C8H18O2/c1-7(2)6-8(3,9-4)10-5/h7H,6H2,1-5H3
InChIKey
WCPUFSIDCWSGEW-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

146.13068 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.137956 133.8
[M+Na]+ 169.119898 140.5
[M-H]- 145.123404 134.2
[M+NH4]+ 164.164503 155.6
[M+K]+ 185.093838 141.6
[M+H-H2O]+ 129.127940 129.7
[M+HCOO]- 191.128881 155.0
[M+CH3COO]- 205.144531 178.4
[M+Na-2H]- 167.105346 139.4
[M]+ 146.13013142 137.7
[M]- 146.13122858 137.7
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