CID 22486473

4-methoxypentanal

Structural Information

Molecular Formula
C6H12O2
SMILES
CC(CCC=O)OC
InChI
InChI=1S/C6H12O2/c1-6(8-2)4-3-5-7/h5-6H,3-4H2,1-2H3
InChIKey
UXHYDUZJRJBABN-UHFFFAOYSA-N
Compound name
4-methoxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

116.08373 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.6
[M+Na]+ 139.07295 134.0
[M+NH4]+ 134.11755 131.5
[M+K]+ 155.04689 128.8
[M-H]- 115.07645 122.8
[M+Na-2H]- 137.05840 127.4
[M]+ 116.08318 124.6
[M]- 116.08428 124.6
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