CID 55287598

[2-(hydroxymethyl)pyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CC(NC1)(CO)CO
InChI
InChI=1S/C6H13NO2/c8-4-6(5-9)2-1-3-7-6/h7-9H,1-5H2
InChIKey
GOPWQGFZLNLOLI-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

131.09464 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.9
[M+Na]+ 154.08386 134.9
[M-H]- 130.08736 126.7
[M+NH4]+ 149.12846 150.9
[M+K]+ 170.05780 132.8
[M+H-H2O]+ 114.09190 124.3
[M+HCOO]- 176.09284 146.8
[M+CH3COO]- 190.10849 161.5
[M+Na-2H]- 152.06931 133.9
[M]+ 131.09409 123.5
[M]- 131.09519 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