CID 21806652

1160756-80-8

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C=CC(C1CC1)N

InChI

InChI=1S/C6H11N/c1-2-6(7)5-3-4-5/h2,5-6H,1,3-4,7H2

InChIKey

FJJOLIFQYQAYFR-UHFFFAOYSA-N

Compound name

1-cyclopropylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 97.08915 Da
Monoisotopic Mass: 0.7
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]+	98.096426	118.4
[M+Na]+	120.078368	126.9
[M-H]-	96.081874	122.8
[M+NH4]+	115.122973	136.4
[M+K]+	136.052308	124.9
[M+H-H2O]+	80.086410	113.0
[M+HCOO]-	142.087351	142.3
[M+CH3COO]-	156.103001	173.3
[M+Na-2H]-	118.063816	124.4
[M]+	97.08860142	117.9
[M]-	97.08969858	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe