CID 121553399

Rac-methyl (1r,2s)-2-ethynylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H8O2
SMILES
COC(=O)[C@@H]1C[C@@H]1C#C
InChI
InChI=1S/C7H8O2/c1-3-5-4-6(5)7(8)9-2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1
InChIKey
UWIXUVYYEOQGCP-NTSWFWBYSA-N
Compound name
trans-methyl (1R,2S)-2-ethynylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 120.3
[M+Na]+ 147.041648 136.4
[M-H]- 123.045154 126.1
[M+NH4]+ 142.086253 137.9
[M+K]+ 163.015588 131.4
[M+H-H2O]+ 107.049690 112.0
[M+HCOO]- 169.050631 140.2
[M+CH3COO]- 183.066281 183.8
[M+Na-2H]- 145.027096 127.0
[M]+ 124.05188142 120.7
[M]- 124.05297858 120.7
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.