CID 20648812

Schembl2214726

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1C(CNC1C=O)O
InChI
InChI=1S/C5H9NO2/c7-3-4-1-5(8)2-6-4/h3-6,8H,1-2H2
InChIKey
UGVVZFVORJSZDD-UHFFFAOYSA-N
Compound name
4-hydroxypyrrolidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

137
Patents

115.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.5
[M+Na]+ 138.052548 129.7
[M-H]- 114.056054 121.9
[M+NH4]+ 133.097153 144.1
[M+K]+ 154.026488 128.0
[M+H-H2O]+ 98.060590 117.3
[M+HCOO]- 160.061531 142.4
[M+CH3COO]- 174.077181 161.7
[M+Na-2H]- 136.037996 126.7
[M]+ 115.06278142 117.9
[M]- 115.06387858 117.9
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

patents stripe