CID 93093

4-hydroxybutanal

Structural Information

Molecular Formula
C4H8O2
SMILES
C(CC=O)CO
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2
InChIKey
PIAOXUVIBAKVSP-UHFFFAOYSA-N
Compound name
4-hydroxybutanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

5711
Patents

88.05243 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 114.7
[M+Na]+ 111.04165 122.6
[M-H]- 87.045154 113.9
[M+NH4]+ 106.08625 137.8
[M+K]+ 127.01559 122.4
[M+H-H2O]+ 71.049690 110.9
[M+HCOO]- 133.05063 138.3
[M+CH3COO]- 147.06628 161.4
[M+Na-2H]- 109.02710 122.4
[M]+ 88.051881 115.5
[M]- 88.052979 115.5
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