CID 2760216

294210-79-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

278
Patents

207.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.108046 143.7
[M+Na]+ 230.089988 148.0
[M-H]- 206.093494 145.7
[M+NH4]+ 225.134593 157.8
[M+K]+ 246.063928 140.7
[M+H-H2O]+ 190.098030 139.8
[M+HCOO]- 252.098971 162.2
[M+CH3COO]- 266.114621 176.3
[M+Na-2H]- 228.075436 151.2
[M]+ 207.10022142 135.5
[M]- 207.10131858 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