CID 527

Propionaldehyde

Structural Information

Molecular Formula
C3H6O
SMILES
CCC=O
InChI
InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChIKey
NBBJYMSMWIIQGU-UHFFFAOYSA-N
Compound name
propanal
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

783
References

137252
Patents

58.041866 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.049142 105.8
[M+Na]+ 81.031084 114.6
[M-H]- 57.034590 106.7
[M+NH4]+ 76.075689 131.0
[M+K]+ 97.005024 115.3
[M+H-H2O]+ 41.039126 102.3
[M+HCOO]- 103.04007 131.1
[M+CH3COO]- 117.05572 159.2
[M+Na-2H]- 79.016532 114.8
[M]+ 58.041317 106.8
[M]- 58.042415 106.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.