CID 123114

Cyclopropanecarboxaldehyde

Structural Information

Molecular Formula
C4H6O
SMILES
C1CC1C=O
InChI
InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2
InChIKey
JMYVMOUINOAAPA-UHFFFAOYSA-N
Compound name
cyclopropanecarbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

24960
Patents

70.04186 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.049136 110.9
[M+Na]+ 93.031078 121.2
[M-H]- 69.034584 116.1
[M+NH4]+ 88.075683 130.5
[M+K]+ 109.00502 120.3
[M+H-H2O]+ 53.039120 105.8
[M+HCOO]- 115.04006 136.1
[M+CH3COO]- 129.05571 164.9
[M+Na-2H]- 91.016526 119.7
[M]+ 70.041311 113.3
[M]- 70.042409 113.3
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.