CID 70365

949-69-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CN(CCC1=NO)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2

InChIKey

VIMRHNNRKUWOIZ-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 204.12627 Da
Monoisotopic Mass: 1.5
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]+	205.13355	145.6
[M+Na]+	227.11549	150.4
[M-H]-	203.11899	150.0
[M+NH4]+	222.16009	162.6
[M+K]+	243.08943	147.3
[M+H-H2O]+	187.12353	137.4
[M+HCOO]-	249.12447	166.5
[M+CH3COO]-	263.14012	186.1
[M+Na-2H]-	225.10094	151.5
[M]+	204.12572	140.5
[M]-	204.12682	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe