CID 44141727

Trans-4-methoxy-1-methyl-3-pyrrolidinamine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CN1C[C@@H]([C@H](C1)OC)N

InChI

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

InChIKey

OHPHQGOFOZCOHP-WDSKDSINSA-N

Compound name

(3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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	127.4
[M+Na]+	153.099828	134.9
[M-H]-	129.103334	129.3
[M+NH4]+	148.144433	149.8
[M+K]+	169.073768	134.4
[M+H-H2O]+	113.107870	121.6
[M+HCOO]-	175.108811	150.0
[M+CH3COO]-	189.124461	174.1
[M+Na-2H]-	151.085276	130.8
[M]+	130.11006142	124.9
[M]-	130.11115858	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe