CID 165760677

3-cyclopentyl-1,2-oxazole-5-carbonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CCC(C1)C2=NOC(=C2)C#N
InChI
InChI=1S/C9H10N2O/c10-6-8-5-9(11-12-8)7-3-1-2-4-7/h5,7H,1-4H2
InChIKey
IYZACZXESXQCPO-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.4
[M+Na]+ 185.06854 141.3
[M-H]- 161.07204 135.9
[M+NH4]+ 180.11314 150.4
[M+K]+ 201.04248 138.7
[M+H-H2O]+ 145.07658 117.9
[M+HCOO]- 207.07752 150.4
[M+CH3COO]- 221.09317 143.9
[M+Na-2H]- 183.05399 135.2
[M]+ 162.07877 125.4
[M]- 162.07987 125.4
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.