CID 14301361

1-propylcyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
CCCC1(CCC1)C#N
InChI
InChI=1S/C8H13N/c1-2-4-8(7-9)5-3-6-8/h2-6H2,1H3
InChIKey
YPSRNDRXENGZCU-UHFFFAOYSA-N
Compound name
1-propylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

123.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 121.1
[M+Na]+ 146.094018 129.1
[M-H]- 122.097524 125.1
[M+NH4]+ 141.138623 137.5
[M+K]+ 162.067958 131.0
[M+H-H2O]+ 106.102060 107.0
[M+HCOO]- 168.103001 139.8
[M+CH3COO]- 182.118651 188.4
[M+Na-2H]- 144.079466 128.5
[M]+ 123.10425142 123.9
[M]- 123.10534858 123.9
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