CID 818082

Rac-ethyl (1r,2r)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C13H16O3
SMILES
CCOC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H16O3/c1-3-16-13(14)12-8-11(12)9-4-6-10(15-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3/t11-,12+/m0/s1
InChIKey
LNIFCHLLDTWCIH-NWDGAFQWSA-N
Compound name
trans-ethyl (1R,2R)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.10994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 147.5
[M+Na]+ 243.099158 156.9
[M-H]- 219.102664 155.4
[M+NH4]+ 238.143763 161.5
[M+K]+ 259.073098 154.4
[M+H-H2O]+ 203.107200 140.7
[M+HCOO]- 265.108141 171.1
[M+CH3COO]- 279.123791 192.5
[M+Na-2H]- 241.084606 151.6
[M]+ 220.10939142 153.6
[M]- 220.11048858 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe