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

1023
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 144.2
[M+Na]+ 230.08999 151.0
[M-H]- 206.09349 147.8
[M+NH4]+ 225.13459 161.8
[M+K]+ 246.06393 149.8
[M+H-H2O]+ 190.09803 136.3
[M+HCOO]- 252.09897 170.6
[M+CH3COO]- 266.11462 193.7
[M+Na-2H]- 228.07544 151.2
[M]+ 207.10022 146.6
[M]- 207.10132 146.6
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.