CID 15566589

1,1-dimethoxy-3-methylbutan-2-one

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(C)C(=O)C(OC)OC
InChI
InChI=1S/C7H14O3/c1-5(2)6(8)7(9-3)10-4/h5,7H,1-4H3
InChIKey
SKEKIRYBKDYRQW-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

146.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.2
[M+Na]+ 169.08352 137.7
[M-H]- 145.08702 131.6
[M+NH4]+ 164.12812 152.6
[M+K]+ 185.05746 139.4
[M+H-H2O]+ 129.09156 126.6
[M+HCOO]- 191.09250 152.7
[M+CH3COO]- 205.10815 177.8
[M+Na-2H]- 167.06897 134.1
[M]+ 146.09375 134.6
[M]- 146.09485 134.7
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