CID 15636936

117546-56-2

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CC(C)N1CC(C1)N

InChI

InChI=1S/C6H14N2/c1-5(2)8-3-6(7)4-8/h5-6H,3-4,7H2,1-2H3

InChIKey

NORUUYRXMOOAHX-UHFFFAOYSA-N

Compound name

1-propan-2-ylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 114.1157 Da
Monoisotopic Mass: 0.0
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]+	115.122976	127.3
[M+Na]+	137.104918	132.7
[M-H]-	113.108424	129.1
[M+NH4]+	132.149523	141.9
[M+K]+	153.078858	135.4
[M+H-H2O]+	97.112960	116.2
[M+HCOO]-	159.113901	147.4
[M+CH3COO]-	173.129551	177.4
[M+Na-2H]-	135.090366	131.1
[M]+	114.11515142	132.7
[M]-	114.11624858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe