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
3
Annotation Hits

0
References

549
Patents

107.0735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 120.4
[M+Na]+ 130.062718 129.1
[M-H]- 106.066224 123.6
[M+NH4]+ 125.107323 141.0
[M+K]+ 146.036658 126.7
[M+H-H2O]+ 90.070760 109.0
[M+HCOO]- 152.071701 139.4
[M+CH3COO]- 166.087351 181.0
[M+Na-2H]- 128.048166 127.6
[M]+ 107.07295142 112.2
[M]- 107.07404858 112.2
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