CID 3014828

1-nitroso-4-phenylpiperazine

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CN(CCN1C2=CC=CC=C2)N=O
InChI
InChI=1S/C10H13N3O/c14-11-13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
FISCVUKZOKHQGD-UHFFFAOYSA-N
Compound name
1-nitroso-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

191.10587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 140.7
[M+Na]+ 214.095088 146.7
[M-H]- 190.098594 145.3
[M+NH4]+ 209.139693 157.4
[M+K]+ 230.069028 144.8
[M+H-H2O]+ 174.103130 131.5
[M+HCOO]- 236.104071 162.4
[M+CH3COO]- 250.119721 186.1
[M+Na-2H]- 212.080536 148.2
[M]+ 191.10532142 137.3
[M]- 191.10641858 137.3
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