CID 19855194

2413898-35-6

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1CC2CCNCCC2C1

InChI

InChI=1S/C9H17N/c1-2-8-4-6-10-7-5-9(8)3-1/h8-10H,1-7H2

InChIKey

MBCQCLOAEMISBA-UHFFFAOYSA-N

Compound name

1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[d]azepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 139.1361 Da
Monoisotopic Mass: 2.2
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]+	140.14338	129.4
[M+Na]+	162.12532	132.1
[M-H]-	138.12882	131.0
[M+NH4]+	157.16992	149.8
[M+K]+	178.09926	132.4
[M+H-H2O]+	122.13336	123.5
[M+HCOO]-	184.13430	145.4
[M+CH3COO]-	198.14995	140.4
[M+Na-2H]-	160.11077	133.3
[M]+	139.13555	118.8
[M]-	139.13665	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe