CID 155819595

2219339-13-4

Structural Information

Molecular Formula
C10H12ClN3O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)N=O
InChI
InChI=1S/C10H12ClN3O/c11-9-2-1-3-10(8-9)13-4-6-14(12-15)7-5-13/h1-3,8H,4-7H2
InChIKey
SAUUWOYGFFSLAY-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0669 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.074176 147.6
[M+Na]+ 248.056118 155.2
[M-H]- 224.059624 152.2
[M+NH4]+ 243.100723 164.0
[M+K]+ 264.030058 151.5
[M+H-H2O]+ 208.064160 138.9
[M+HCOO]- 270.065101 164.5
[M+CH3COO]- 284.080751 191.0
[M+Na-2H]- 246.041566 153.6
[M]+ 225.06635142 146.5
[M]- 225.06744858 146.5
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.