CID 47289

64091-91-4

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CN(CCCC(=O)C1=CN=CC=C1)N=O
InChI
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey
FLAQQSHRLBFIEZ-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1294
References

2169
Patents

207.10077 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 145.2
[M+Na]+ 230.08999 155.6
[M+NH4]+ 225.13459 152.1
[M+K]+ 246.06393 150.3
[M-H]- 206.09349 147.2
[M+Na-2H]- 228.07544 151.9
[M]+ 207.10022 146.9
[M]- 207.10132 146.9
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