CID 2833123

3-methyl-1-(2-nitrophenyl)piperazine

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC1CN(CCN1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O2/c1-9-8-13(7-6-12-9)10-4-2-3-5-11(10)14(15)16/h2-5,9,12H,6-8H2,1H3
InChIKey
JLCKZYKOWUVIPC-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-nitrophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

221.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 148.6
[M+Na]+ 244.10564 153.4
[M-H]- 220.10914 150.7
[M+NH4]+ 239.15024 162.4
[M+K]+ 260.07958 145.9
[M+H-H2O]+ 204.11368 144.7
[M+HCOO]- 266.11462 166.7
[M+CH3COO]- 280.13027 180.4
[M+Na-2H]- 242.09109 154.8
[M]+ 221.11587 141.1
[M]- 221.11697 141.1
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