CID 165759459

1-(3-methylphenyl)-4-nitrosopiperazine

Structural Information

Molecular Formula
C11H15N3O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)N=O
InChI
InChI=1S/C11H15N3O/c1-10-3-2-4-11(9-10)13-5-7-14(12-15)8-6-13/h2-4,9H,5-8H2,1H3
InChIKey
WICGXFXYMNQQIR-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 145.5
[M+Na]+ 228.11072 152.0
[M-H]- 204.11422 150.4
[M+NH4]+ 223.15532 162.0
[M+K]+ 244.08466 149.9
[M+H-H2O]+ 188.11876 136.4
[M+HCOO]- 250.11970 166.9
[M+CH3COO]- 264.13535 190.3
[M+Na-2H]- 226.09617 151.7
[M]+ 205.12095 142.9
[M]- 205.12205 142.9
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.