CID 13247959

4423-02-3

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC(C)C1CCCC1N

InChI

InChI=1S/C8H17N/c1-6(2)7-4-3-5-8(7)9/h6-8H,3-5,9H2,1-2H3

InChIKey

LSHKOEGVVYRQIF-UHFFFAOYSA-N

Compound name

2-propan-2-ylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 127.1361 Da
Monoisotopic Mass: 1.8
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	130.6
[M+Na]+	150.12532	136.0
[M-H]-	126.12882	133.3
[M+NH4]+	145.16992	154.0
[M+K]+	166.09926	135.1
[M+H-H2O]+	110.13336	125.4
[M+HCOO]-	172.13430	152.6
[M+CH3COO]-	186.14995	175.3
[M+Na-2H]-	148.11077	132.3
[M]+	127.13555	125.8
[M]-	127.13665	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe