CID 380234

Nsc665711

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

C1CN(CCC1=NOC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2/c14-13(17)18-15-12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,17)

InChIKey

OTTJCLRRNYGLSC-UHFFFAOYSA-N

Compound name

[(1-benzylpiperidin-4-ylidene)amino] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.13208 Da
Monoisotopic Mass: 1.0
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]+	248.13936	155.9
[M+Na]+	270.12130	159.8
[M-H]-	246.12480	161.1
[M+NH4]+	265.16590	171.0
[M+K]+	286.09524	157.5
[M+H-H2O]+	230.12934	146.8
[M+HCOO]-	292.13028	177.8
[M+CH3COO]-	306.14593	197.6
[M+Na-2H]-	268.10675	160.0
[M]+	247.13153	151.4
[M]-	247.13263	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe