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
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]+ 125.05971 120.3
[M+Na]+ 147.04165 136.4
[M-H]- 123.04515 126.1
[M+NH4]+ 142.08625 137.9
[M+K]+ 163.01559 131.4
[M+H-H2O]+ 107.04969 112.0
[M+HCOO]- 169.05063 140.2
[M+CH3COO]- 183.06628 183.8
[M+Na-2H]- 145.02710 127.0
[M]+ 124.05188 120.7
[M]- 124.05298 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.