CID 21604850

Bicyclo[1.1.1]pentane-1-carbonitrile

Structural Information

Molecular Formula
C6H7N
SMILES
C1C2CC1(C2)C#N
InChI
InChI=1S/C6H7N/c7-4-6-1-5(2-6)3-6/h5H,1-3H2
InChIKey
AOUMEYPKBXRHIU-UHFFFAOYSA-N
Compound name
bicyclo[1.1.1]pentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

93.057846 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 135.5
[M+Na]+ 116.04706 134.4
[M+NH4]+ 111.09167 133.8
[M+K]+ 132.02100 130.6
[M-H]- 92.050570 125.1
[M+Na-2H]- 114.03251 131.5
[M]+ 93.057297 129.5
[M]- 93.058395 129.5
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

patents stripe