CID 27474

3-methylenecyclobutanecarbonitrile

Structural Information

Molecular Formula
C6H7N
SMILES
C=C1CC(C1)C#N
InChI
InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2
InChIKey
ZRWMAMOBIQQJSA-UHFFFAOYSA-N
Compound name
3-methylidenecyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

876
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 110.9
[M+Na]+ 116.04706 119.6
[M-H]- 92.050570 115.1
[M+NH4]+ 111.09167 126.7
[M+K]+ 132.02100 122.1
[M+H-H2O]+ 76.055106 96.2
[M+HCOO]- 138.05605 130.2
[M+CH3COO]- 152.07170 183.6
[M+Na-2H]- 114.03251 117.7
[M]+ 93.057297 112.5
[M]- 93.058395 112.5
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