CID 74619

1855-63-6

Structural Information

Molecular Formula
C7H9N
SMILES
C1CCC(=CC1)C#N
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2
InChIKey
GTMWGXABXQTZRJ-UHFFFAOYSA-N
Compound name
cyclohexene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

471
Patents

107.0735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 124.5
[M+Na]+ 130.06272 136.2
[M+NH4]+ 125.10732 130.9
[M+K]+ 146.03666 126.4
[M-H]- 106.06622 120.1
[M+Na-2H]- 128.04817 129.1
[M]+ 107.07295 124.1
[M]- 107.07405 124.1
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