CID 41470

N-nitroso-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1CN(CC=C1)N=O
InChI
InChI=1S/C5H8N2O/c8-6-7-4-2-1-3-5-7/h1-2H,3-5H2
InChIKey
KIUHZRUPPGAVPY-UHFFFAOYSA-N
Compound name
1-nitroso-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

9
Patents

112.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 118.7
[M+Na]+ 135.05288 125.6
[M-H]- 111.05638 122.1
[M+NH4]+ 130.09748 140.3
[M+K]+ 151.02682 125.9
[M+H-H2O]+ 95.060920 112.2
[M+HCOO]- 157.06186 143.4
[M+CH3COO]- 171.07751 171.1
[M+Na-2H]- 133.03833 128.0
[M]+ 112.06311 116.7
[M]- 112.06421 116.7
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