CID 40897

3,3-dimethylcyclobutanecarbonitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC1(CC(C1)C#N)C
InChI
InChI=1S/C7H11N/c1-7(2)3-6(4-7)5-8/h6H,3-4H2,1-2H3
InChIKey
JGQKDUIQJBOXRM-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

109.08915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 116.6
[M+Na]+ 132.07837 125.7
[M-H]- 108.08187 121.1
[M+NH4]+ 127.12297 133.8
[M+K]+ 148.05231 128.0
[M+H-H2O]+ 92.086410 102.9
[M+HCOO]- 154.08735 135.6
[M+CH3COO]- 168.10300 186.7
[M+Na-2H]- 130.06382 123.8
[M]+ 109.08860 119.4
[M]- 109.08970 119.4
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