CID 89811

1-cyclopentenylacetonitrile

Structural Information

Molecular Formula
C7H9N
SMILES
C1CC=C(C1)CC#N
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2
InChIKey
LEWVRAMNXUWSFL-UHFFFAOYSA-N
Compound name
2-(cyclopenten-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

107.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.08078 123.6
[M+Na]+ 130.06272 134.3
[M+NH4]+ 125.10732 129.7
[M+K]+ 146.03666 126.3
[M-H]- 106.06622 118.3
[M+Na-2H]- 128.04817 127.3
[M]+ 107.07295 122.7
[M]- 107.07405 122.7
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