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]+ 163.086596 131.4
[M+Na]+ 185.068538 141.3
[M-H]- 161.072044 135.9
[M+NH4]+ 180.113143 150.4
[M+K]+ 201.042478 138.7
[M+H-H2O]+ 145.076580 117.9
[M+HCOO]- 207.077521 150.4
[M+CH3COO]- 221.093171 143.9
[M+Na-2H]- 183.053986 135.2
[M]+ 162.07877142 125.4
[M]- 162.07986858 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.