CID 21056549

2241129-88-2

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC(C)(C)CC1CNC1

InChI

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

InChIKey

VNVOYYSIUYHZQH-UHFFFAOYSA-N

Compound name

3-(2,2-dimethylpropyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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	130.6
[M+Na]+	150.12532	135.8
[M-H]-	126.12882	131.3
[M+NH4]+	145.16992	144.7
[M+K]+	166.09926	137.3
[M+H-H2O]+	110.13336	120.8
[M+HCOO]-	172.13430	147.9
[M+CH3COO]-	186.14995	174.5
[M+Na-2H]-	148.11077	136.5
[M]+	127.13555	136.6
[M]-	127.13665	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe