CID 3065826

1-benzyl-1-methyl-4-nitrosopiperazinium chloride

Structural Information

Molecular Formula
C12H18N3O
SMILES
C[N+]1(CCN(CC1)N=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N3O/c1-15(9-7-14(13-16)8-10-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/q+1
InChIKey
LYIPARFQADNYPN-UHFFFAOYSA-N
Compound name
1-benzyl-1-methyl-4-nitrosopiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14499 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15227 148.4
[M+Na]+ 243.13421 163.2
[M+NH4]+ 238.17881 159.4
[M+K]+ 259.10815 154.3
[M-H]- 219.13771 154.3
[M+Na-2H]- 241.11966 159.3
[M]+ 220.14444 152.6
[M]- 220.14554 152.6
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.