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]+ 226.07418 147.6
[M+Na]+ 248.05612 155.2
[M-H]- 224.05962 152.2
[M+NH4]+ 243.10072 164.0
[M+K]+ 264.03006 151.5
[M+H-H2O]+ 208.06416 138.9
[M+HCOO]- 270.06510 164.5
[M+CH3COO]- 284.08075 191.0
[M+Na-2H]- 246.04157 153.6
[M]+ 225.06635 146.5
[M]- 225.06745 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.