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

15
Patents

131.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.4
[M+Na]+ 154.08386 136.3
[M+NH4]+ 149.12846 137.0
[M+K]+ 170.05780 132.1
[M-H]- 130.08736 127.0
[M+Na-2H]- 152.06931 132.5
[M]+ 131.09409 128.8
[M]- 131.09519 128.8
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