CID 537792

4-isobutoxy-2-butanone

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(C)COCCC(=O)C
InChI
InChI=1S/C8H16O2/c1-7(2)6-10-5-4-8(3)9/h7H,4-6H2,1-3H3
InChIKey
VDVQAHFUWSAGRT-UHFFFAOYSA-N
Compound name
4-(2-methylpropoxy)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.7
[M+Na]+ 167.10426 142.4
[M+NH4]+ 162.14886 140.2
[M+K]+ 183.07820 137.5
[M-H]- 143.10776 131.7
[M+Na-2H]- 165.08971 135.6
[M]+ 144.11449 133.5
[M]- 144.11559 133.5
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