CID 63761500

1-propylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CCCN1CC(C1)N

InChI

InChI=1S/C6H14N2/c1-2-3-8-4-6(7)5-8/h6H,2-5,7H2,1H3

InChIKey

XFAJTOGPBDJOTQ-UHFFFAOYSA-N

Compound name

1-propylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 114.1157 Da
Monoisotopic Mass: 0.1
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]+	115.12298	125.3
[M+Na]+	137.10492	130.9
[M-H]-	113.10842	126.9
[M+NH4]+	132.14952	139.9
[M+K]+	153.07886	133.2
[M+H-H2O]+	97.112960	114.2
[M+HCOO]-	159.11390	146.4
[M+CH3COO]-	173.12955	176.5
[M+Na-2H]-	135.09037	130.5
[M]+	114.11515	131.4
[M]-	114.11625	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe