CID 519239

1-cyclopropylethanamine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC(C1CC1)N

InChI

InChI=1S/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3

InChIKey

IXCXVGWKYIDNOS-UHFFFAOYSA-N

Compound name

1-cyclopropylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1442
Patents: 85.08915 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]+	86.096426	115.1
[M+Na]+	108.07837	123.7
[M-H]-	84.081874	119.6
[M+NH4]+	103.12297	133.6
[M+K]+	124.05231	122.5
[M+H-H2O]+	68.086410	109.7
[M+HCOO]-	130.08735	139.1
[M+CH3COO]-	144.10300	171.3
[M+Na-2H]-	106.06382	121.6
[M]+	85.088601	114.9
[M]-	85.089699	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe