CID 77372

1-formylpyrrolidine

Structural Information

Molecular Formula
C5H9NO
SMILES
C1CCN(C1)C=O
InChI
InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2
InChIKey
AGRIQBHIKABLPJ-UHFFFAOYSA-N
Compound name
pyrrolidine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

9296
Patents

99.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.3
[M+Na]+ 122.05763 125.5
[M-H]- 98.061134 120.1
[M+NH4]+ 117.10223 141.7
[M+K]+ 138.03157 125.3
[M+H-H2O]+ 82.065670 112.6
[M+HCOO]- 144.06661 141.1
[M+CH3COO]- 158.08226 163.9
[M+Na-2H]- 120.04308 124.2
[M]+ 99.067861 115.8
[M]- 99.068959 115.8
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