CID 12140079

Spiro[2.3]hexane-5-carbonitrile

Structural Information

Molecular Formula
C7H9N
SMILES
C1CC12CC(C2)C#N
InChI
InChI=1S/C7H9N/c8-5-6-3-7(4-6)1-2-7/h6H,1-4H2
InChIKey
ALEHCHMDJFQQAJ-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

107.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 113.4
[M+Na]+ 130.06272 128.1
[M-H]- 106.06622 122.1
[M+NH4]+ 125.10732 128.4
[M+K]+ 146.03666 126.8
[M+H-H2O]+ 90.070760 101.9
[M+HCOO]- 152.07170 134.1
[M+CH3COO]- 166.08735 187.9
[M+Na-2H]- 128.04817 123.8
[M]+ 107.07295 119.2
[M]- 107.07405 119.2
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