CID 44141703

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

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCN1C[C@@H]([C@H](C1)OC)N

InChI

InChI=1S/C7H16N2O/c1-3-9-4-6(8)7(5-9)10-2/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1

InChIKey

CRPGYVVKMKSHJT-BQBZGAKWSA-N

Compound name

(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 144.12627 Da
Monoisotopic Mass: -0.6
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]+	145.133546	132.0
[M+Na]+	167.115488	139.0
[M-H]-	143.118994	133.7
[M+NH4]+	162.160093	153.8
[M+K]+	183.089428	138.3
[M+H-H2O]+	127.123530	126.0
[M+HCOO]-	189.124471	154.3
[M+CH3COO]-	203.140121	177.2
[M+Na-2H]-	165.100936	134.8
[M]+	144.12572142	129.9
[M]-	144.12681858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe