CID 2733159

1-ethenylcyclopropan-1-ol

Structural Information

Molecular Formula
C5H8O
SMILES
C=CC1(CC1)O
InChI
InChI=1S/C5H8O/c1-2-5(6)3-4-5/h2,6H,1,3-4H2
InChIKey
YVFKCLVVUXZYJI-UHFFFAOYSA-N
Compound name
1-ethenylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

84.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 115.2
[M+Na]+ 107.046738 125.4
[M-H]- 83.050244 119.3
[M+NH4]+ 102.091343 135.5
[M+K]+ 123.020678 124.2
[M+H-H2O]+ 67.054780 111.5
[M+HCOO]- 129.055721 138.3
[M+CH3COO]- 143.071371 164.7
[M+Na-2H]- 105.032186 124.1
[M]+ 84.05697142 116.7
[M]- 84.05806858 116.7
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