CID 81163

1-nitroso-4-phenylpiperidine

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(CCC1C2=CC=CC=C2)N=O
InChI
InChI=1S/C11H14N2O/c14-12-13-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
PLERIDASECPNCJ-UHFFFAOYSA-N
Compound name
1-nitroso-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5
Patents

190.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 140.4
[M+Na]+ 213.09983 146.0
[M-H]- 189.10333 146.4
[M+NH4]+ 208.14443 158.6
[M+K]+ 229.07377 144.0
[M+H-H2O]+ 173.10787 132.1
[M+HCOO]- 235.10881 163.2
[M+CH3COO]- 249.12446 186.4
[M+Na-2H]- 211.08528 147.3
[M]+ 190.11006 136.9
[M]- 190.11116 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe