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]+ 119.04674 129.2
[M-H]- 95.050244 117.9
[M+NH4]+ 114.09134 131.2
[M+K]+ 135.02068 123.6
[M+H-H2O]+ 79.054780 105.3
[M+HCOO]- 141.05572 132.6
[M+CH3COO]- 155.07137 177.9
[M+Na-2H]- 117.03219 121.2
[M]+ 96.056971 111.6
[M]- 96.058069 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.