CID 13329881

Pyrrolidine-3,4-diol

Structural Information

Molecular Formula
C4H9NO2
SMILES
C1C(C(CN1)O)O
InChI
InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2
InChIKey
JCZPOYAMKJFOLA-UHFFFAOYSA-N
Compound name
pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

3005
Patents

103.06333 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.9
[M+Na]+ 126.05255 126.9
[M-H]- 102.05605 118.1
[M+NH4]+ 121.09715 141.4
[M+K]+ 142.02649 125.1
[M+H-H2O]+ 86.060590 115.1
[M+HCOO]- 148.06153 138.5
[M+CH3COO]- 162.07718 157.0
[M+Na-2H]- 124.03800 124.2
[M]+ 103.06278 113.9
[M]- 103.06388 113.9
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