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

121
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 121.7
[M+Na]+ 116.047064 128.0
[M-H]- 92.050570 125.9
[M+NH4]+ 111.091669 129.1
[M+K]+ 132.021004 134.7
[M+H-H2O]+ 76.055106 105.7
[M+HCOO]- 138.056047 134.4
[M+CH3COO]- 152.071697 207.7
[M+Na-2H]- 114.032512 130.5
[M]+ 93.05729742 140.2
[M]- 93.05839458 140.2
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