CID 134690726

5-(hydroxymethyl)-5-methylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1(CC(CN1)O)CO
InChI
InChI=1S/C6H13NO2/c1-6(4-8)2-5(9)3-7-6/h5,7-9H,2-4H2,1H3
InChIKey
DGVZHQWAYUDJNR-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-5-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.2
[M+Na]+ 154.08386 135.3
[M-H]- 130.08736 126.4
[M+NH4]+ 149.12846 150.6
[M+K]+ 170.05780 133.1
[M+H-H2O]+ 114.09190 124.1
[M+HCOO]- 176.09284 146.1
[M+CH3COO]- 190.10849 162.6
[M+Na-2H]- 152.06931 132.7
[M]+ 131.09409 123.2
[M]- 131.09519 123.2
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

No patent data available for this compound.