CID 130963890

2702323-53-1

Structural Information

Molecular Formula

C₈H₁₇N₃

SMILES

CN(C)C1CN(C1)C2CNC2

InChI

InChI=1S/C8H17N3/c1-10(2)8-5-11(6-8)7-3-9-4-7/h7-9H,3-6H2,1-2H3

InChIKey

BCOVRTFBFLEKTI-UHFFFAOYSA-N

Compound name

1-(azetidin-3-yl)-N,N-dimethylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.14224 Da
Monoisotopic Mass: -0.4
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]+	156.14952	133.4
[M+Na]+	178.13146	136.0
[M-H]-	154.13496	136.3
[M+NH4]+	173.17606	138.1
[M+K]+	194.10540	141.3
[M+H-H2O]+	138.13950	116.3
[M+HCOO]-	200.14044	149.4
[M+CH3COO]-	214.15609	193.8
[M+Na-2H]-	176.11691	136.7
[M]+	155.14169	146.1
[M]-	155.14279	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe