CID 22990584

2-cyclobutylacetonitrile

Structural Information

Molecular Formula
C6H9N
SMILES
C1CC(C1)CC#N
InChI
InChI=1S/C6H9N/c7-5-4-6-2-1-3-6/h6H,1-4H2
InChIKey
BWFYLNLITXLIGS-UHFFFAOYSA-N
Compound name
2-cyclobutylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

95.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 111.0
[M+Na]+ 118.06272 118.7
[M-H]- 94.066224 114.7
[M+NH4]+ 113.10732 126.5
[M+K]+ 134.03666 121.7
[M+H-H2O]+ 78.070760 95.9
[M+HCOO]- 140.07170 130.2
[M+CH3COO]- 154.08735 183.6
[M+Na-2H]- 116.04817 118.5
[M]+ 95.072951 112.9
[M]- 95.074049 112.9
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