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

14
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 125.0
[M+Na]+ 146.057628 135.1
[M-H]- 122.061134 128.6
[M+NH4]+ 141.102233 148.4
[M+K]+ 162.031568 132.0
[M+H-H2O]+ 106.065670 114.2
[M+HCOO]- 168.066611 145.2
[M+CH3COO]- 182.082261 181.7
[M+Na-2H]- 144.043076 131.2
[M]+ 123.06786142 118.5
[M]- 123.06895858 118.5
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