CID 17750082

(3-methylidenecyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C=C1CC(C1)CN

InChI

InChI=1S/C6H11N/c1-5-2-6(3-5)4-7/h6H,1-4,7H2

InChIKey

ZYTYWJHGVSRYNU-UHFFFAOYSA-N

Compound name

(3-methylidenecyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 97.08915 Da
Monoisotopic Mass: 0.3
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	119.0
[M+Na]+	120.078368	124.9
[M-H]-	96.081874	122.2
[M+NH4]+	115.122973	135.5
[M+K]+	136.052308	126.7
[M+H-H2O]+	80.086410	109.2
[M+HCOO]-	142.087351	141.5
[M+CH3COO]-	156.103001	173.1
[M+Na-2H]-	118.063816	124.3
[M]+	97.08860142	123.9
[M]-	97.08969858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe