CID 53297439

4-hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CN(C(CCC(=O)C1=CN=CC=C1)O)N=O
InChI
InChI=1S/C10H13N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,10,15H,4-5H2,1H3
InChIKey
UIPLZNGNFRQXQE-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.09569 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 147.9
[M+Na]+ 246.08491 153.1
[M-H]- 222.08841 151.3
[M+NH4]+ 241.12951 164.2
[M+K]+ 262.05885 153.5
[M+H-H2O]+ 206.09295 139.7
[M+HCOO]- 268.09389 172.5
[M+CH3COO]- 282.10954 196.4
[M+Na-2H]- 244.07036 153.2
[M]+ 223.09514 150.0
[M]- 223.09624 150.0
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

patents stripe