CID 218466

1-benzyl-4-nitrosopiperazine

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CN(CCN1CC2=CC=CC=C2)N=O
InChI
InChI=1S/C11H15N3O/c15-12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
PZNHQMMDZKTYDZ-UHFFFAOYSA-N
Compound name
1-benzyl-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

205.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 145.2
[M+Na]+ 228.11072 150.7
[M-H]- 204.11422 149.6
[M+NH4]+ 223.15532 161.3
[M+K]+ 244.08466 148.6
[M+H-H2O]+ 188.11876 135.8
[M+HCOO]- 250.11970 166.5
[M+CH3COO]- 264.13535 189.1
[M+Na-2H]- 226.09617 152.1
[M]+ 205.12095 142.2
[M]- 205.12205 142.2
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