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]+ 220.108046 147.5
[M+Na]+ 242.089988 153.0
[M-H]- 218.093494 152.1
[M+NH4]+ 237.134593 162.9
[M+K]+ 258.063928 151.3
[M+H-H2O]+ 202.098030 138.1
[M+HCOO]- 264.098971 168.3
[M+CH3COO]- 278.114621 190.6
[M+Na-2H]- 240.075436 153.3
[M]+ 219.10022142 144.5
[M]- 219.10131858 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.