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

170
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]+ 118.026338 131.8
[M-H]- 94.029844 122.4
[M+NH4]+ 113.070943 135.5
[M+K]+ 134.000278 127.5
[M+H-H2O]+ 78.034380 107.5
[M+HCOO]- 140.035321 138.1
[M+CH3COO]- 154.050971 181.8
[M+Na-2H]- 116.011786 125.8
[M]+ 95.03657142 115.3
[M]- 95.03766858 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