CID 22359935

[3-(hydroxymethyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CNCC1(CO)CO
InChI
InChI=1S/C6H13NO2/c8-4-6(5-9)1-2-7-3-6/h7-9H,1-5H2
InChIKey
JTZUKPJSXQMWEX-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

131.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.9
[M+Na]+ 154.083858 134.9
[M-H]- 130.087364 126.7
[M+NH4]+ 149.128463 150.9
[M+K]+ 170.057798 132.8
[M+H-H2O]+ 114.091900 124.3
[M+HCOO]- 176.092841 146.8
[M+CH3COO]- 190.108491 161.5
[M+Na-2H]- 152.069306 133.9
[M]+ 131.09409142 123.5
[M]- 131.09518858 123.5
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