CID 11170949

3-methoxy-3-methylbutanal

Structural Information

Molecular Formula
C6H12O2
SMILES
CC(C)(CC=O)OC
InChI
InChI=1S/C6H12O2/c1-6(2,8-3)4-5-7/h5H,4H2,1-3H3
InChIKey
JEERAMZIKOLMNQ-UHFFFAOYSA-N
Compound name
3-methoxy-3-methylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.5
[M+Na]+ 139.07295 133.9
[M+NH4]+ 134.11755 131.3
[M+K]+ 155.04689 129.2
[M-H]- 115.07645 122.3
[M+Na-2H]- 137.05840 127.6
[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