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
7
Annotation Hits

1299
References

2247
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 144.5
[M+Na]+ 230.08999 150.5
[M-H]- 206.09349 149.2
[M+NH4]+ 225.13459 162.3
[M+K]+ 246.06393 150.7
[M+H-H2O]+ 190.09803 136.1
[M+HCOO]- 252.09897 171.3
[M+CH3COO]- 266.11462 196.0
[M+Na-2H]- 228.07544 151.4
[M]+ 207.10022 147.7
[M]- 207.10132 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.