CID 386849

Nsc679583

Structural Information

Molecular Formula
C9H10N2O
SMILES
C#CCCCOC1=NC=CC=N1
InChI
InChI=1S/C9H10N2O/c1-2-3-4-8-12-9-10-6-5-7-11-9/h1,5-7H,3-4,8H2
InChIKey
JQGXFQNZBHARIS-UHFFFAOYSA-N
Compound name
2-pent-4-ynoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 130.4
[M+Na]+ 185.06854 139.8
[M-H]- 161.07204 129.0
[M+NH4]+ 180.11314 145.9
[M+K]+ 201.04248 136.7
[M+H-H2O]+ 145.07658 116.5
[M+HCOO]- 207.07752 146.6
[M+CH3COO]- 221.09317 185.7
[M+Na-2H]- 183.05399 137.6
[M]+ 162.07877 126.2
[M]- 162.07987 126.2
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.