CID 4185056

1-benzoyl-4-nitrosopiperazine

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)N=O
InChI
InChI=1S/C11H13N3O2/c15-11(10-4-2-1-3-5-10)13-6-8-14(12-16)9-7-13/h1-5H,6-9H2
InChIKey
VOVYCOIAWXNXAX-UHFFFAOYSA-N
Compound name
(4-nitrosopiperazin-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.5
[M+Na]+ 242.08999 153.0
[M-H]- 218.09349 152.1
[M+NH4]+ 237.13459 162.9
[M+K]+ 258.06393 151.3
[M+H-H2O]+ 202.09803 138.1
[M+HCOO]- 264.09897 168.3
[M+CH3COO]- 278.11462 190.6
[M+Na-2H]- 240.07544 153.3
[M]+ 219.10022 144.5
[M]- 219.10132 144.5
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.