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
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]+ 167.10666 134.3
[M+Na]+ 189.08860 149.5
[M-H]- 165.09210 139.9
[M+NH4]+ 184.13320 150.6
[M+K]+ 205.06254 144.4
[M+H-H2O]+ 149.09664 126.1
[M+HCOO]- 211.09758 152.0
[M+CH3COO]- 225.11323 191.2
[M+Na-2H]- 187.07405 139.9
[M]+ 166.09883 135.2
[M]- 166.09993 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.