CID 10964

Propanedial

Structural Information

Molecular Formula
C3H4O2
SMILES
C(C=O)C=O
InChI
InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey
WSMYVTOQOOLQHP-UHFFFAOYSA-N
Compound name
propanedial
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

36203
References

49600
Patents

72.021126 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.028402 109.4
[M+Na]+ 95.010344 120.8
[M+NH4]+ 90.054949 117.7
[M+K]+ 110.98428 115.4
[M-H]- 71.013850 108.7
[M+Na-2H]- 92.995792 114.3
[M]+ 72.020577 110.6
[M]- 72.021675 110.6
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