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 128.9
[M+Na]+ 116.04706 148.1
[M-H]- 92.050570 138.4
[M+NH4]+ 111.09167 146.5
[M+K]+ 132.02100 142.4
[M+H-H2O]+ 76.055106 125.3
[M+HCOO]- 138.05605 148.6
[M+CH3COO]- 152.07170 193.0
[M+Na-2H]- 114.03251 139.8
[M]+ 93.057297 133.1
[M]- 93.058395 133.1
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