CID 137935270

2253632-41-4

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CNCC12CCC(C1)CC2

InChI

InChI=1S/C9H17N/c1-10-7-9-4-2-8(6-9)3-5-9/h8,10H,2-7H2,1H3

InChIKey

IYKBGDCLOWVCKJ-UHFFFAOYSA-N

Compound name

1-(1-bicyclo[2.2.1]heptanyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 139.1361 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]+	140.14338	132.6
[M+Na]+	162.12532	138.6
[M-H]-	138.12882	135.1
[M+NH4]+	157.16992	160.8
[M+K]+	178.09926	136.8
[M+H-H2O]+	122.13336	128.3
[M+HCOO]-	184.13430	154.9
[M+CH3COO]-	198.14995	176.0
[M+Na-2H]-	160.11077	138.4
[M]+	139.13555	129.8
[M]-	139.13665	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe