CID 206594

15271-41-7

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O₂

SMILES

CNC(=O)ON=C1C2CC(C1Cl)CC2C#N

InChI

InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)

InChIKey

QCQPGRMMDFIQMB-UHFFFAOYSA-N

Compound name

[(3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene)amino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 30
Patents: 241.0618 Da
Monoisotopic Mass: 1.1
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]+	242.06908	152.3
[M+Na]+	264.05102	159.4
[M+NH4]+	259.09562	156.6
[M+K]+	280.02496	154.2
[M-H]-	240.05452	145.4
[M+Na-2H]-	262.03647	150.5
[M]+	241.06125	150.3
[M]-	241.06235	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe