CID 204475

Brn 2089221

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CN(CC#C)CC1CC2CC1C=C2

InChI

InChI=1S/C12H17N/c1-3-6-13(2)9-12-8-10-4-5-11(12)7-10/h1,4-5,10-12H,6-9H2,2H3

InChIKey

KUEPGIOCLJRWFI-UHFFFAOYSA-N

Compound name

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-methylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 175.1361 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]+	176.14338	145.2
[M+Na]+	198.12532	154.7
[M-H]-	174.12882	147.7
[M+NH4]+	193.16992	168.2
[M+K]+	214.09926	149.1
[M+H-H2O]+	158.13336	133.9
[M+HCOO]-	220.13430	162.8
[M+CH3COO]-	234.14995	195.4
[M+Na-2H]-	196.11077	147.2
[M]+	175.13555	140.4
[M]-	175.13665	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe