CID 55288723

2138816-85-8

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

C1C/C=C\CCC(C1)CN

InChI

InChI=1S/C9H17N/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8,10H2/b2-1-

InChIKey

VVDVYPRTAZHSQZ-UPHRSURJSA-N

Compound name

[(4Z)-cyclooct-4-en-1-yl]methanamine

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]+	140.14338	134.8
[M+Na]+	162.12532	138.3
[M+NH4]+	157.16992	138.1
[M+K]+	178.09926	137.9
[M-H]-	138.12882	136.0
[M+Na-2H]-	160.11077	138.7
[M]+	139.13555	135.5
[M]-	139.13665	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe