CID 2760446

775579-10-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC1=CC=CC=C1C(=O)N2CCNCC2

InChI

InChI=1S/C12H16N2O/c1-10-4-2-3-5-11(10)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3

InChIKey

UWLVXFDJDRTPDH-UHFFFAOYSA-N

Compound name

(2-methylphenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 204.12627 Da
Monoisotopic Mass: 1.7
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]+	205.133546	147.6
[M+Na]+	227.115488	152.6
[M-H]-	203.118994	149.3
[M+NH4]+	222.160093	162.7
[M+K]+	243.089428	148.9
[M+H-H2O]+	187.123530	139.2
[M+HCOO]-	249.124471	163.6
[M+CH3COO]-	263.140121	182.3
[M+Na-2H]-	225.100936	151.4
[M]+	204.12572142	141.2
[M]-	204.12681858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe