CID 2802624

Schembl31721090

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

CN1C2CCC1CC(=NOC(=O)C3CCCCC3)C2

InChI

InChI=1S/C15H24N2O2/c1-17-13-7-8-14(17)10-12(9-13)16-19-15(18)11-5-3-2-4-6-11/h11,13-14H,2-10H2,1H3

InChIKey

WTMTUVSXDOKSQV-UHFFFAOYSA-N

Compound name

[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 264.18378 Da
Monoisotopic Mass: 2.8
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]+	265.191056	163.2
[M+Na]+	287.172998	165.4
[M-H]-	263.176504	167.2
[M+NH4]+	282.217603	181.6
[M+K]+	303.146938	163.1
[M+H-H2O]+	247.181040	155.3
[M+HCOO]-	309.181981	178.4
[M+CH3COO]-	323.197631	200.6
[M+Na-2H]-	285.158446	163.4
[M]+	264.18323142	157.0
[M]-	264.18432858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe