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]+ 162.112476 136.6
[M+Na]+ 184.094418 141.8
[M-H]- 160.097924 134.2
[M+NH4]+ 179.139023 155.5
[M+K]+ 200.068358 140.3
[M+H-H2O]+ 144.102460 131.0
[M+HCOO]- 206.103401 153.3
[M+CH3COO]- 220.119051 169.1
[M+Na-2H]- 182.079866 138.0
[M]+ 161.10465142 132.4
[M]- 161.10574858 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