CID 314284

3-methoxy-2-methylpropanal

Structural Information

Molecular Formula
C5H10O2
SMILES
CC(COC)C=O
InChI
InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3
InChIKey
QXEASUMNBOJEBO-UHFFFAOYSA-N
Compound name
3-methoxy-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

102.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 118.7
[M+Na]+ 125.05730 126.4
[M-H]- 101.06080 119.3
[M+NH4]+ 120.10190 142.0
[M+K]+ 141.03124 127.4
[M+H-H2O]+ 85.065340 114.6
[M+HCOO]- 147.06628 142.6
[M+CH3COO]- 161.08193 168.1
[M+Na-2H]- 123.04275 125.2
[M]+ 102.06753 121.2
[M]- 102.06863 121.2
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