CID 13528657

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

228
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 120.9
[M+Na]+ 116.04706 127.8
[M+NH4]+ 111.09167 123.2
[M+K]+ 132.02100 120.5
[M-H]- 92.050570 113.2
[M+Na-2H]- 114.03251 122.3
[M]+ 93.057297 117.8
[M]- 93.058395 117.8
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