CID 10749213

107797-60-4

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: 61
Patents: 131.09464 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	132.10192	127.7
[M+Na]+	154.08386	135.2
[M-H]-	130.08736	127.3
[M+NH4]+	149.12846	149.1
[M+K]+	170.05780	133.8
[M+H-H2O]+	114.09190	122.7
[M+HCOO]-	176.09284	147.1
[M+CH3COO]-	190.10849	166.8
[M+Na-2H]-	152.06931	130.8
[M]+	131.09409	124.7
[M]-	131.09519	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe