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

136
Patents

115.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.5
[M+Na]+ 138.05255 129.7
[M-H]- 114.05605 121.9
[M+NH4]+ 133.09715 144.1
[M+K]+ 154.02649 128.0
[M+H-H2O]+ 98.060590 117.3
[M+HCOO]- 160.06153 142.4
[M+CH3COO]- 174.07718 161.7
[M+Na-2H]- 136.03800 126.7
[M]+ 115.06278 117.9
[M]- 115.06388 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