CID 202797

13324-59-9

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CN(CC#C)CC1CCC=CC1

InChI

InChI=1S/C11H17N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-5,11H,6-10H2,2H3

InChIKey

XTFVPGNAVYVQIK-UHFFFAOYSA-N

Compound name

N-(cyclohex-3-en-1-ylmethyl)-N-methylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.1361 Da
Monoisotopic Mass: 2.1
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]+	164.143376	137.7
[M+Na]+	186.125318	144.7
[M-H]-	162.128824	140.3
[M+NH4]+	181.169923	156.3
[M+K]+	202.099258	141.7
[M+H-H2O]+	146.133360	125.7
[M+HCOO]-	208.134301	154.7
[M+CH3COO]-	222.149951	192.6
[M+Na-2H]-	184.110766	141.8
[M]+	163.13555142	130.3
[M]-	163.13664858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe