CID 190319

6-hydroxyhexanal

Structural Information

Molecular Formula
C6H12O2
SMILES
C(CCC=O)CCO
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6-8/h5,8H,1-4,6H2
InChIKey
FPFTWHJPEMPAGE-UHFFFAOYSA-N
Compound name
6-hydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1158
Patents

116.08373 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 123.8
[M+Na]+ 139.07295 133.9
[M+NH4]+ 134.11755 131.4
[M+K]+ 155.04689 128.2
[M-H]- 115.07645 122.6
[M+Na-2H]- 137.05840 127.3
[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

literature stripe

Patent stripe

patents stripe