CID 58019003

1-formylcyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CCC(C1)(C=O)C#N
InChI
InChI=1S/C7H9NO/c8-5-7(6-9)3-1-2-4-7/h6H,1-4H2
InChIKey
YCIRISUEUQBWTN-UHFFFAOYSA-N
Compound name
1-formylcyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 126.0
[M+Na]+ 146.05763 135.7
[M+NH4]+ 141.10223 132.6
[M+K]+ 162.03157 126.9
[M-H]- 122.06113 119.9
[M+Na-2H]- 144.04308 129.9
[M]+ 123.06786 124.8
[M]- 123.06896 124.8
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