CID 62313595

2174002-49-2

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(C)CC1CNC1

InChI

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

InChIKey

QCGPDCBREKQOTK-UHFFFAOYSA-N

Compound name

3-(2-methylpropyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 113.12045 Da
Monoisotopic Mass: 1.5
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	126.6
[M+Na]+	136.10967	131.3
[M-H]-	112.11317	127.1
[M+NH4]+	131.15427	140.9
[M+K]+	152.08361	133.2
[M+H-H2O]+	96.117710	116.2
[M+HCOO]-	158.11865	144.7
[M+CH3COO]-	172.13430	172.7
[M+Na-2H]-	134.09512	131.2
[M]+	113.11990	132.0
[M]-	113.12100	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe