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 125.0
[M+Na]+ 146.05763 135.1
[M-H]- 122.06113 128.6
[M+NH4]+ 141.10223 148.4
[M+K]+ 162.03157 132.0
[M+H-H2O]+ 106.06567 114.2
[M+HCOO]- 168.06661 145.2
[M+CH3COO]- 182.08226 181.7
[M+Na-2H]- 144.04308 131.2
[M]+ 123.06786 118.5
[M]- 123.06896 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