CID 44141717

1212336-60-1

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CN[C@H]1CN(C[C@@H]1O)C

InChI

InChI=1S/C6H14N2O/c1-7-5-3-8(2)4-6(5)9/h5-7,9H,3-4H2,1-2H3/t5-,6-/m0/s1

InChIKey

LVTBOQOSSIBUCD-WDSKDSINSA-N

Compound name

(3S,4S)-1-methyl-4-(methylamino)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 130.11061 Da
Monoisotopic Mass: -0.9
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]+	131.117886	127.8
[M+Na]+	153.099828	134.8
[M-H]-	129.103334	128.8
[M+NH4]+	148.144433	149.7
[M+K]+	169.073768	133.8
[M+H-H2O]+	113.107870	122.2
[M+HCOO]-	175.108811	149.5
[M+CH3COO]-	189.124461	172.2
[M+Na-2H]-	151.085276	131.7
[M]+	130.11006142	124.4
[M]-	130.11115858	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe