CID 18070977

2-(2-methylphenyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC1=CC=CC=C1CC(=O)N2CCNCC2
InChI
InChI=1S/C13H18N2O/c1-11-4-2-3-5-12(11)10-13(16)15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChIKey
ZUCXMPGZBRDSCV-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 152.1
[M+Na]+ 241.131118 156.6
[M-H]- 217.134624 153.6
[M+NH4]+ 236.175723 166.6
[M+K]+ 257.105058 152.7
[M+H-H2O]+ 201.139160 143.4
[M+HCOO]- 263.140101 167.7
[M+CH3COO]- 277.155751 185.3
[M+Na-2H]- 239.116566 155.3
[M]+ 218.14135142 146.0
[M]- 218.14244858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe