CID 65865

Nerbacadol

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC1=C(C=NO1)C(=O)N2CCCCC2

InChI

InChI=1S/C10H14N2O2/c1-8-9(7-11-14-8)10(13)12-5-3-2-4-6-12/h7H,2-6H2,1H3

InChIKey

ZWNGSOLJLMBZFZ-UHFFFAOYSA-N

Compound name

(5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 64
Patents: 194.10553 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]+	195.112806	142.6
[M+Na]+	217.094748	148.8
[M-H]-	193.098254	146.7
[M+NH4]+	212.139353	159.4
[M+K]+	233.068688	148.4
[M+H-H2O]+	177.102790	134.7
[M+HCOO]-	239.103731	160.8
[M+CH3COO]-	253.119381	180.8
[M+Na-2H]-	215.080196	145.9
[M]+	194.10498142	140.2
[M]-	194.10607858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe