CID 11182597

Methacrolein dimethyl acetal

Structural Information

Molecular Formula
C6H12O2
SMILES
CC(=C)C(OC)OC
InChI
InChI=1S/C6H12O2/c1-5(2)6(7-3)8-4/h6H,1H2,2-4H3
InChIKey
OBSHSWKHUYGFMF-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-2-methylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

417
Patents

116.08373 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.6
[M+Na]+ 139.07295 130.7
[M-H]- 115.07645 124.1
[M+NH4]+ 134.11755 146.3
[M+K]+ 155.04689 131.8
[M+H-H2O]+ 99.080990 119.3
[M+HCOO]- 161.08193 146.1
[M+CH3COO]- 175.09758 172.0
[M+Na-2H]- 137.05840 128.3
[M]+ 116.08318 125.8
[M]- 116.08428 125.8
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