CID 68084889

22566-35-4

Structural Information

Molecular Formula
C7H9N
SMILES
C=CCC1(CC1)C#N
InChI
InChI=1S/C7H9N/c1-2-3-7(6-8)4-5-7/h2H,1,3-5H2
InChIKey
HAYUSYFQQSRDKZ-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

107.0735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 119.4
[M+Na]+ 130.062718 135.3
[M-H]- 106.066224 126.4
[M+NH4]+ 125.107323 139.4
[M+K]+ 146.036658 130.2
[M+H-H2O]+ 90.070760 111.5
[M+HCOO]- 152.071701 141.6
[M+CH3COO]- 166.087351 185.4
[M+Na-2H]- 128.048166 129.2
[M]+ 107.07295142 118.9
[M]- 107.07404858 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe