CID 83814963

3-(butan-2-yl)azetidine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCC(C)C1CNC1

InChI

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

InChIKey

PFUAJVSUKRVYFD-UHFFFAOYSA-N

Compound name

3-butan-2-ylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 113.12045 Da
Monoisotopic Mass: 1.7
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]+	114.127726	126.6
[M+Na]+	136.109668	131.3
[M-H]-	112.113174	127.1
[M+NH4]+	131.154273	140.9
[M+K]+	152.083608	133.2
[M+H-H2O]+	96.117710	116.2
[M+HCOO]-	158.118651	144.7
[M+CH3COO]-	172.134301	172.7
[M+Na-2H]-	134.095116	131.2
[M]+	113.11990142	132.0
[M]-	113.12099858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe