CID 12778577

1-[(2-methylpropan-2-yl)oxy]propan-2-one

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(=O)COC(C)(C)C
InChI
InChI=1S/C7H14O2/c1-6(8)5-9-7(2,3)4/h5H2,1-4H3
InChIKey
KKJVWCBWUAYCRX-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxy]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

130.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 127.5
[M+Na]+ 153.088598 135.0
[M-H]- 129.092104 128.2
[M+NH4]+ 148.133203 150.0
[M+K]+ 169.062538 135.8
[M+H-H2O]+ 113.096640 123.8
[M+HCOO]- 175.097581 149.2
[M+CH3COO]- 189.113231 173.7
[M+Na-2H]- 151.074046 133.7
[M]+ 130.09883142 130.2
[M]- 130.09992858 130.2
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