CID 21427952

591769-05-0

Structural Information

Molecular Formula
C8H11N
SMILES
C1CCC(C1)/C=C/C#N
InChI
InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
InChIKey
VMELXYJYSXXORF-ZZXKWVIFSA-N
Compound name
(E)-3-cyclopentylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

121.08915 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.096426 127.0
[M+Na]+ 144.078368 135.7
[M-H]- 120.081874 129.9
[M+NH4]+ 139.122973 148.7
[M+K]+ 160.052308 132.4
[M+H-H2O]+ 104.086410 115.2
[M+HCOO]- 166.087351 146.5
[M+CH3COO]- 180.103001 182.5
[M+Na-2H]- 142.063816 131.5
[M]+ 121.08860142 119.1
[M]- 121.08969858 119.1
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