CID 13695806

3-methylcyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H11N
SMILES
CC1CCC(C1)C#N
InChI
InChI=1S/C7H11N/c1-6-2-3-7(4-6)5-8/h6-7H,2-4H2,1H3
InChIKey
KJGOFSOLQOWBSX-UHFFFAOYSA-N
Compound name
3-methylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

109.08915 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 121.9
[M+Na]+ 132.078368 131.4
[M-H]- 108.081874 125.3
[M+NH4]+ 127.122973 144.3
[M+K]+ 148.052308 129.1
[M+H-H2O]+ 92.086410 110.6
[M+HCOO]- 154.087351 141.5
[M+CH3COO]- 168.103001 182.2
[M+Na-2H]- 130.063816 126.5
[M]+ 109.08860142 114.7
[M]- 109.08969858 114.7
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