CID 104691

Cyclopent-1-ene-1,2-dicarbonitrile

Structural Information

Molecular Formula
C7H6N2
SMILES
C1CC(=C(C1)C#N)C#N
InChI
InChI=1S/C7H6N2/c8-4-6-2-1-3-7(6)5-9/h1-3H2
InChIKey
HEXQKPDCBSWTHM-UHFFFAOYSA-N
Compound name
cyclopentene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

118.0531 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.060376 139.1
[M+Na]+ 141.042318 149.6
[M-H]- 117.045824 142.9
[M+NH4]+ 136.086923 155.1
[M+K]+ 157.016258 146.0
[M+H-H2O]+ 101.050360 124.4
[M+HCOO]- 163.051301 152.5
[M+CH3COO]- 177.066951 206.6
[M+Na-2H]- 139.027766 141.7
[M]+ 118.05255142 130.4
[M]- 118.05364858 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe