CID 20792980

3-tert-butylazetidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(C)(C)C1CNC1

InChI

InChI=1S/C7H15N/c1-7(2,3)6-4-8-5-6/h6,8H,4-5H2,1-3H3

InChIKey

AAUOIOOJSYBVJK-UHFFFAOYSA-N

Compound name

3-tert-butylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 307
Patents: 113.12045 Da
Monoisotopic Mass: 1.6
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]+	114.12773	125.1
[M+Na]+	136.10967	131.0
[M+NH4]+	131.15427	129.6
[M+K]+	152.08361	128.0
[M-H]-	112.11317	122.6
[M+Na-2H]-	134.09512	127.6
[M]+	113.11990	124.0
[M]-	113.12100	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe