CID 10749213

(3r,5s)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
CN1C[C@@H](C[C@H]1CO)O
InChI
InChI=1S/C6H13NO2/c1-7-3-6(9)2-5(7)4-8/h5-6,8-9H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
IXFHJDFJPFHQLP-NTSWFWBYSA-N
Compound name
(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.3
[M+Na]+ 154.08386 136.5
[M+NH4]+ 149.12846 134.9
[M+K]+ 170.05780 134.0
[M-H]- 130.08736 126.7
[M+Na-2H]- 152.06931 130.0
[M]+ 131.09409 128.0
[M]- 131.09519 128.0
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