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

25197
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

literature stripe

Patent stripe

patents stripe