CID 37508

3-methoxy-3-methylbutan-2-one

Structural Information

Molecular Formula
C6H12O2
SMILES
CC(=O)C(C)(C)OC
InChI
InChI=1S/C6H12O2/c1-5(7)6(2,3)8-4/h1-4H3
InChIKey
WIDVGAUYQJKBRR-UHFFFAOYSA-N
Compound name
3-methoxy-3-methylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

116.08373 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.6
[M+Na]+ 139.07295 133.7
[M+NH4]+ 134.11755 131.4
[M+K]+ 155.04689 129.8
[M-H]- 115.07645 122.2
[M+Na-2H]- 137.05840 127.4
[M]+ 116.08318 124.5
[M]- 116.08428 124.5
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