CID 68168893

2580180-03-4

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC(CC)C1CNC1

InChI

InChI=1S/C8H17N/c1-3-7(4-2)8-5-9-6-8/h7-9H,3-6H2,1-2H3

InChIKey

PJGLBIHRBSHOGA-UHFFFAOYSA-N

Compound name

3-pentan-3-ylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 127.1361 Da
Monoisotopic Mass: 2.2
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]+	128.14338	131.3
[M+Na]+	150.12532	135.5
[M-H]-	126.12882	131.6
[M+NH4]+	145.16992	145.0
[M+K]+	166.09926	137.2
[M+H-H2O]+	110.13336	120.6
[M+HCOO]-	172.13430	149.0
[M+CH3COO]-	186.14995	175.7
[M+Na-2H]-	148.11077	135.3
[M]+	127.13555	137.0
[M]-	127.13665	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe