CID 3057780

74195-76-9

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC1CC2CCCC2N1C

InChI

InChI=1S/C9H17N/c1-7-6-8-4-3-5-9(8)10(7)2/h7-9H,3-6H2,1-2H3

InChIKey

RDFOURSPNBBXIY-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 139.1361 Da
Monoisotopic Mass: 2.0
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]+	140.14338	133.2
[M+Na]+	162.12532	140.7
[M-H]-	138.12882	136.1
[M+NH4]+	157.16992	158.5
[M+K]+	178.09926	139.1
[M+H-H2O]+	122.13336	128.0
[M+HCOO]-	184.13430	153.5
[M+CH3COO]-	198.14995	175.3
[M+Na-2H]-	160.11077	135.0
[M]+	139.13555	130.3
[M]-	139.13665	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe