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

16
Patents

123.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 121.1
[M+Na]+ 146.09402 129.1
[M-H]- 122.09752 125.1
[M+NH4]+ 141.13862 137.5
[M+K]+ 162.06796 131.0
[M+H-H2O]+ 106.10206 107.0
[M+HCOO]- 168.10300 139.8
[M+CH3COO]- 182.11865 188.4
[M+Na-2H]- 144.07947 128.5
[M]+ 123.10425 123.9
[M]- 123.10535 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