CID 13528657

2-cyclobutylideneacetonitrile

Structural Information

Molecular Formula
C6H7N
SMILES
C1CC(=CC#N)C1
InChI
InChI=1S/C6H7N/c7-5-4-6-2-1-3-6/h4H,1-3H2
InChIKey
BRZXIZFUVMXDAQ-UHFFFAOYSA-N
Compound name
2-cyclobutylideneacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

93.057846 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 111.4
[M+Na]+ 116.047064 119.4
[M-H]- 92.050570 115.2
[M+NH4]+ 111.091669 127.0
[M+K]+ 132.021004 121.9
[M+H-H2O]+ 76.055106 96.4
[M+HCOO]- 138.056047 130.7
[M+CH3COO]- 152.071697 182.1
[M+Na-2H]- 114.032512 118.8
[M]+ 93.05729742 112.6
[M]- 93.05839458 112.6
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