CID 92139712

27278-76-8

Structural Information

Molecular Formula
C13H16O2
SMILES
CCOC(=O)[C@@H]1C[C@H]1CC2=CC=CC=C2
InChI
InChI=1S/C13H16O2/c1-2-15-13(14)12-9-11(12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-,12-/m1/s1
InChIKey
KOACXUOASKUNMQ-VXGBXAGGSA-N
Compound name
ethyl (1R,2S)-2-benzylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 144.3
[M+Na]+ 227.10426 152.9
[M-H]- 203.10776 151.8
[M+NH4]+ 222.14886 158.8
[M+K]+ 243.07820 150.2
[M+H-H2O]+ 187.11230 137.5
[M+HCOO]- 249.11324 167.8
[M+CH3COO]- 263.12889 189.4
[M+Na-2H]- 225.08971 149.2
[M]+ 204.11449 148.6
[M]- 204.11559 148.6
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

patents stripe