CID 200462

2108-70-5

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CN(C)CC1CCC=CC1

InChI

InChI=1S/C9H17N/c1-10(2)8-9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3

InChIKey

XOUZBKQQOYZAQR-UHFFFAOYSA-N

Compound name

1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	140.143376	131.5
[M+Na]+	162.125318	136.1
[M-H]-	138.128824	135.8
[M+NH4]+	157.169923	153.4
[M+K]+	178.099258	136.1
[M+H-H2O]+	122.133360	125.5
[M+HCOO]-	184.134301	154.7
[M+CH3COO]-	198.149951	180.5
[M+Na-2H]-	160.110766	137.3
[M]+	139.13555142	129.0
[M]-	139.13664858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe