CID 146082431

Rac-tert-butyl (1r,2s)-2-ethynylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@@H]1C#C
InChI
InChI=1S/C10H14O2/c1-5-7-6-8(7)9(11)12-10(2,3)4/h1,7-8H,6H2,2-4H3/t7-,8+/m0/s1
InChIKey
ZZQUFTNRQVFWCQ-JGVFFNPUSA-N
Compound name
trans-tert-butyl (1R,2S)-2-ethynylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.106656 134.3
[M+Na]+ 189.088598 149.5
[M-H]- 165.092104 139.9
[M+NH4]+ 184.133203 150.6
[M+K]+ 205.062538 144.4
[M+H-H2O]+ 149.096640 126.1
[M+HCOO]- 211.097581 152.0
[M+CH3COO]- 225.113231 191.2
[M+Na-2H]- 187.074046 139.9
[M]+ 166.09883142 135.2
[M]- 166.09992858 135.2
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.