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]+ 222.123696 148.6
[M+Na]+ 244.105638 153.4
[M-H]- 220.109144 150.7
[M+NH4]+ 239.150243 162.4
[M+K]+ 260.079578 145.9
[M+H-H2O]+ 204.113680 144.7
[M+HCOO]- 266.114621 166.7
[M+CH3COO]- 280.130271 180.4
[M+Na-2H]- 242.091086 154.8
[M]+ 221.11587142 141.1
[M]- 221.11696858 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