CID 28064878

1215107-56-4

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)C1(CC1)N

InChI

InChI=1S/C6H13N/c1-5(2)6(7)3-4-6/h5H,3-4,7H2,1-2H3

InChIKey

BCEQMDPSJGINGM-UHFFFAOYSA-N

Compound name

1-propan-2-ylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 99.1048 Da
Monoisotopic Mass: 1.0
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]+	100.112076	119.8
[M+Na]+	122.094018	128.6
[M-H]-	98.097524	124.5
[M+NH4]+	117.138623	139.7
[M+K]+	138.067958	128.1
[M+H-H2O]+	82.102060	115.6
[M+HCOO]-	144.103001	143.1
[M+CH3COO]-	158.118651	173.8
[M+Na-2H]-	120.079466	126.7
[M]+	99.10425142	120.3
[M]-	99.10534858	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe