CID 53297441

Alpha-[3-[(hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1=CC(=CN=C1)C(CCCN(CO)N=O)O
InChI
InChI=1S/C10H15N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,10,14-15H,2,4,6,8H2
InChIKey
UNFLQLWCJOTOPA-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-N-(4-hydroxy-4-pyridin-3-ylbutyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.11134 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 149.7
[M+Na]+ 248.10056 158.5
[M+NH4]+ 243.14516 155.5
[M+K]+ 264.07450 154.4
[M-H]- 224.10406 150.4
[M+Na-2H]- 246.08601 154.8
[M]+ 225.11079 150.6
[M]- 225.11189 150.6
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

patents stripe