CID 57486051

3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol

Structural Information

Molecular Formula
C7H15NO3
SMILES
C1CN(CC1O)CC(CO)O
InChI
InChI=1S/C7H15NO3/c9-5-7(11)4-8-2-1-6(10)3-8/h6-7,9-11H,1-5H2
InChIKey
LVNHFJFINQPLPD-UHFFFAOYSA-N
Compound name
3-(3-hydroxypyrrolidin-1-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

161.1052 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 136.6
[M+Na]+ 184.09442 141.8
[M-H]- 160.09792 134.2
[M+NH4]+ 179.13902 155.5
[M+K]+ 200.06836 140.3
[M+H-H2O]+ 144.10246 131.0
[M+HCOO]- 206.10340 153.3
[M+CH3COO]- 220.11905 169.1
[M+Na-2H]- 182.07987 138.0
[M]+ 161.10465 132.4
[M]- 161.10575 132.4
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