CID 79874153

3-(propan-2-ylidene)azetidine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC(=C1CNC1)C

InChI

InChI=1S/C6H11N/c1-5(2)6-3-7-4-6/h7H,3-4H2,1-2H3

InChIKey

JQMAYOPTQXFISB-UHFFFAOYSA-N

Compound name

3-propan-2-ylideneazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 97.08915 Da
Monoisotopic Mass: 0.5
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]+	98.096426	121.0
[M+Na]+	120.07837	126.4
[M-H]-	96.081874	121.7
[M+NH4]+	115.12297	135.9
[M+K]+	136.05231	128.1
[M+H-H2O]+	80.086410	110.9
[M+HCOO]-	142.08735	139.6
[M+CH3COO]-	156.10300	168.2
[M+Na-2H]-	118.06382	126.1
[M]+	97.088601	125.3
[M]-	97.089699	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.