CID 44827664

1-(2,2-diethylcyclopropyl)methanamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC1(CC1CN)CC

InChI

InChI=1S/C8H17N/c1-3-8(4-2)5-7(8)6-9/h7H,3-6,9H2,1-2H3

InChIKey

ZNEANLRFEOLEAL-UHFFFAOYSA-N

Compound name

(2,2-diethylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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]+	128.14338	127.5
[M+Na]+	150.12532	136.7
[M-H]-	126.12882	132.2
[M+NH4]+	145.16992	146.7
[M+K]+	166.09926	135.2
[M+H-H2O]+	110.13336	123.1
[M+HCOO]-	172.13430	151.1
[M+CH3COO]-	186.14995	179.9
[M+Na-2H]-	148.11077	134.0
[M]+	127.13555	129.8
[M]-	127.13665	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe