CID 23452200

2-formylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H5NO
SMILES
C1C(C1C#N)C=O
InChI
InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2
InChIKey
LDFWACKVZPQYOM-UHFFFAOYSA-N
Compound name
2-formylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

95.03712 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 113.2
[M+Na]+ 118.026338 129.6
[M-H]- 94.029844 120.2
[M+NH4]+ 113.070943 132.0
[M+K]+ 134.000278 125.1
[M+H-H2O]+ 78.034380 104.6
[M+HCOO]- 140.035321 136.3
[M+CH3COO]- 154.050971 183.2
[M+Na-2H]- 116.011786 122.4
[M]+ 95.03657142 113.2
[M]- 95.03766858 113.2
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