CID 100949

1-(2-nitrophenyl)piperazine

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CN(CCN1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O2/c14-13(15)10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKey
YJRCDSXLKPERNV-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

902
Patents

207.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 143.7
[M+Na]+ 230.08999 148.0
[M-H]- 206.09349 145.7
[M+NH4]+ 225.13459 157.8
[M+K]+ 246.06393 140.7
[M+H-H2O]+ 190.09803 139.8
[M+HCOO]- 252.09897 162.2
[M+CH3COO]- 266.11462 176.3
[M+Na-2H]- 228.07544 151.2
[M]+ 207.10022 135.5
[M]- 207.10132 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe