CID 12404424

1,1-dimethoxy-4,4-dimethylpentan-3-one

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)C(=O)CC(OC)OC
InChI
InChI=1S/C9H18O3/c1-9(2,3)7(10)6-8(11-4)12-5/h8H,6H2,1-5H3
InChIKey
DZNUWPMZNOEILD-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-4,4-dimethylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

174.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 139.6
[M+Na]+ 197.114818 146.0
[M-H]- 173.118324 140.0
[M+NH4]+ 192.159423 160.2
[M+K]+ 213.088758 147.2
[M+H-H2O]+ 157.122860 135.4
[M+HCOO]- 219.123801 160.0
[M+CH3COO]- 233.139451 182.6
[M+Na-2H]- 195.100266 143.6
[M]+ 174.12505142 144.0
[M]- 174.12614858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe