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

83
Patents

102.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 118.7
[M+Na]+ 125.057298 126.4
[M-H]- 101.060804 119.3
[M+NH4]+ 120.101903 142.0
[M+K]+ 141.031238 127.4
[M+H-H2O]+ 85.065340 114.6
[M+HCOO]- 147.066281 142.6
[M+CH3COO]- 161.081931 168.1
[M+Na-2H]- 123.042746 125.2
[M]+ 102.06753142 121.2
[M]- 102.06862858 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