CID 12476279

3-methylbicyclo[1.1.0]butane-1-carbonitrile

Structural Information

Molecular Formula
C6H7N
SMILES
CC12CC1(C2)C#N
InChI
InChI=1S/C6H7N/c1-5-2-6(5,3-5)4-7/h2-3H2,1H3
InChIKey
OWNDZBODIXJTBD-UHFFFAOYSA-N
Compound name
3-methylbicyclo[1.1.0]butane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

93.057846 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 110.1
[M+Na]+ 116.04706 122.3
[M+NH4]+ 111.09167 118.9
[M+K]+ 132.02100 116.0
[M-H]- 92.050570 117.3
[M+Na-2H]- 114.03251 120.7
[M]+ 93.057297 115.3
[M]- 93.058395 115.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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