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

52172
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

literature stripe

Patent stripe

patents stripe