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

40
Patents

205.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 145.2
[M+Na]+ 228.110718 150.7
[M-H]- 204.114224 149.6
[M+NH4]+ 223.155323 161.3
[M+K]+ 244.084658 148.6
[M+H-H2O]+ 188.118760 135.8
[M+HCOO]- 250.119701 166.5
[M+CH3COO]- 264.135351 189.1
[M+Na-2H]- 226.096166 152.1
[M]+ 205.12095142 142.2
[M]- 205.12204858 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