CID 57187562

1-formylcyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H5NO
SMILES
C1CC1(C=O)C#N
InChI
InChI=1S/C5H5NO/c6-3-5(4-7)1-2-5/h4H,1-2H2
InChIKey
ZVJZAKIRDRMLDW-UHFFFAOYSA-N
Compound name
1-formylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

194
Patents

95.03712 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 115.2
[M+Na]+ 118.02634 131.8
[M-H]- 94.029844 122.4
[M+NH4]+ 113.07094 135.5
[M+K]+ 134.00028 127.5
[M+H-H2O]+ 78.034380 107.5
[M+HCOO]- 140.03532 138.1
[M+CH3COO]- 154.05097 181.8
[M+Na-2H]- 116.01179 125.8
[M]+ 95.036571 115.3
[M]- 95.037669 115.3
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