CID 129852253

4'-(nitrosomethylamino)-1-(3-pyridyl)-1-butanone

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CCCC(=O)C1=C(C=CN=C1)NCN=O
InChI
InChI=1S/C10H13N3O2/c1-2-3-10(14)8-6-11-5-4-9(8)12-7-13-15/h4-6H,2-3,7H2,1H3,(H,11,12)
InChIKey
KNVGANQITPHPKN-UHFFFAOYSA-N
Compound name
1-[4-(nitrosomethylamino)pyridin-3-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1019
References

0
Patents

207.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 145.4
[M+Na]+ 230.08999 156.0
[M+NH4]+ 225.13459 152.0
[M+K]+ 246.06393 150.3
[M-H]- 206.09349 147.1
[M+Na-2H]- 228.07544 151.6
[M]+ 207.10022 147.0
[M]- 207.10132 147.0
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

No patent data available for this compound.