CID 13027933

5-methoxypentanal

Structural Information

Molecular Formula
C6H12O2
SMILES
COCCCCC=O
InChI
InChI=1S/C6H12O2/c1-8-6-4-2-3-5-7/h5H,2-4,6H2,1H3
InChIKey
KCCMPTAMMUQNSK-UHFFFAOYSA-N
Compound name
5-methoxypentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.0
[M+Na]+ 139.07295 130.5
[M-H]- 115.07645 123.3
[M+NH4]+ 134.11755 145.8
[M+K]+ 155.04689 130.8
[M+H-H2O]+ 99.080990 118.6
[M+HCOO]- 161.08193 147.5
[M+CH3COO]- 175.09758 170.3
[M+Na-2H]- 137.05840 130.3
[M]+ 116.08318 126.6
[M]- 116.08428 126.6
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