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

22
Patents

174.1256 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 139.6
[M+Na]+ 197.11482 146.0
[M-H]- 173.11832 140.0
[M+NH4]+ 192.15942 160.2
[M+K]+ 213.08876 147.2
[M+H-H2O]+ 157.12286 135.4
[M+HCOO]- 219.12380 160.0
[M+CH3COO]- 233.13945 182.6
[M+Na-2H]- 195.10027 143.6
[M]+ 174.12505 144.0
[M]- 174.12615 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