CID 12746998

4-methoxybutanal

Structural Information

Molecular Formula
C5H10O2
SMILES
COCCCC=O
InChI
InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3
InChIKey
ZRMAOFSYSYAOHQ-UHFFFAOYSA-N
Compound name
4-methoxybutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

589
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 118.3
[M+Na]+ 125.057298 126.3
[M-H]- 101.060804 118.8
[M+NH4]+ 120.101903 141.7
[M+K]+ 141.031238 126.8
[M+H-H2O]+ 85.065340 114.1
[M+HCOO]- 147.066281 143.2
[M+CH3COO]- 161.081931 167.3
[M+Na-2H]- 123.042746 126.1
[M]+ 102.06753142 121.5
[M]- 102.06862858 121.5
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