CID 154699677

Ns00117422

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CN(CC[C@@H](C(=O)C1=CN=CC=C1)O)N=O
InChI
InChI=1S/C10H13N3O3/c1-13(12-16)6-4-9(14)10(15)8-3-2-5-11-7-8/h2-3,5,7,9,14H,4,6H2,1H3/t9-/m0/s1
InChIKey
IJGFYZIMQQPUTE-VIFPVBQESA-N
Compound name
N-[(3S)-3-hydroxy-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.2
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

No patent data available for this compound.