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]+ 103.07536 118.3
[M+Na]+ 125.05730 126.3
[M-H]- 101.06080 118.8
[M+NH4]+ 120.10190 141.7
[M+K]+ 141.03124 126.8
[M+H-H2O]+ 85.065340 114.1
[M+HCOO]- 147.06628 143.2
[M+CH3COO]- 161.08193 167.3
[M+Na-2H]- 123.04275 126.1
[M]+ 102.06753 121.5
[M]- 102.06863 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