CID 70620

Adipaldehyde

Structural Information

Molecular Formula
C6H10O2
SMILES
C(CCC=O)CC=O
InChI
InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2
InChIKey
UMHJEEQLYBKSAN-UHFFFAOYSA-N
Compound name
hexanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

8867
Patents

114.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.3
[M+Na]+ 137.05730 129.2
[M-H]- 113.06080 121.7
[M+NH4]+ 132.10190 144.2
[M+K]+ 153.03124 128.8
[M+H-H2O]+ 97.065340 117.1
[M+HCOO]- 159.06628 146.1
[M+CH3COO]- 173.08193 169.4
[M+Na-2H]- 135.04275 128.7
[M]+ 114.06753 124.2
[M]- 114.06863 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe