CID 105067

59578-66-4

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CN(C(CCCO)C1=CN=CC=C1)N=O
InChI
InChI=1S/C10H15N3O2/c1-13(12-15)10(5-3-7-14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3
InChIKey
IIDMFFRDEFHWCJ-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-1-pyridin-3-ylbutyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

232
Patents

209.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 146.1
[M+Na]+ 232.10564 151.4
[M-H]- 208.10914 149.4
[M+NH4]+ 227.15024 163.3
[M+K]+ 248.07958 151.3
[M+H-H2O]+ 192.11368 137.9
[M+HCOO]- 254.11462 171.3
[M+CH3COO]- 268.13027 194.3
[M+Na-2H]- 230.09109 152.5
[M]+ 209.11587 148.1
[M]- 209.11697 148.1
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.