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

32
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 118.5
[M+Na]+ 118.02634 130.6
[M+NH4]+ 113.07094 124.3
[M+K]+ 134.00028 123.8
[M-H]- 94.029844 118.9
[M+Na-2H]- 116.01179 124.1
[M]+ 95.036571 120.4
[M]- 95.037669 120.4
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