CID 122163244

1422273-86-6

Structural Information

Molecular Formula
C6H8O
SMILES
C#C[C@H]1C[C@H]1CO
InChI
InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m0/s1
InChIKey
LKUCMEHIFVXSGA-WDSKDSINSA-N
Compound name
[(1R,2S)-2-ethynylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

96.05752 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 113.1
[M+Na]+ 119.046738 129.2
[M-H]- 95.050244 117.9
[M+NH4]+ 114.091343 131.2
[M+K]+ 135.020678 123.6
[M+H-H2O]+ 79.054780 105.3
[M+HCOO]- 141.055721 132.6
[M+CH3COO]- 155.071371 177.9
[M+Na-2H]- 117.032186 121.2
[M]+ 96.05697142 111.6
[M]- 96.05806858 111.6
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

No patent data available for this compound.