CID 105067

Iso-nnal

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

250
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

literature stripe

Patent stripe

patents stripe