CID 3066102

4-benzoyl-1,1-dimethylpiperazinium iodide

Structural Information

Molecular Formula
C13H19N2O
SMILES
C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C13H19N2O/c1-15(2)10-8-14(9-11-15)13(16)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
InChIKey
ARRXKELPFXNZOC-UHFFFAOYSA-N
Compound name
(4,4-dimethylpiperazin-4-ium-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.14973 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15701 150.3
[M+Na]+ 242.13895 156.0
[M-H]- 218.14245 153.9
[M+NH4]+ 237.18355 167.5
[M+K]+ 258.11289 147.8
[M+H-H2O]+ 202.14699 144.8
[M+HCOO]- 264.14793 167.0
[M+CH3COO]- 278.16358 180.6
[M+Na-2H]- 240.12440 157.4
[M]+ 219.14918 144.7
[M]- 219.15028 144.7
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

No patent data available for this compound.