CID 11228864

8-hydroxyoctanal

Structural Information

Molecular Formula
C8H16O2
SMILES
C(CCCC=O)CCCO
InChI
InChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8-10/h7,10H,1-6,8H2
InChIKey
KXUYLUMVUPFPKD-UHFFFAOYSA-N
Compound name
8-hydroxyoctanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

333
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 133.2
[M+Na]+ 167.104258 139.4
[M-H]- 143.107764 131.7
[M+NH4]+ 162.148863 154.1
[M+K]+ 183.078198 138.1
[M+H-H2O]+ 127.112300 128.5
[M+HCOO]- 189.113241 155.5
[M+CH3COO]- 203.128891 173.6
[M+Na-2H]- 165.089706 138.7
[M]+ 144.11449142 135.5
[M]- 144.11558858 135.5
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