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]+ 206.128776 145.5
[M+Na]+ 228.110718 152.0
[M-H]- 204.114224 150.4
[M+NH4]+ 223.155323 162.0
[M+K]+ 244.084658 149.9
[M+H-H2O]+ 188.118760 136.4
[M+HCOO]- 250.119701 166.9
[M+CH3COO]- 264.135351 190.3
[M+Na-2H]- 226.096166 151.7
[M]+ 205.12095142 142.9
[M]- 205.12204858 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.