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

19
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 147.1
[M+Na]+ 227.10426 161.0
[M+NH4]+ 222.14886 156.2
[M+K]+ 243.07820 155.5
[M-H]- 203.10776 157.1
[M+Na-2H]- 225.08971 156.8
[M]+ 204.11449 153.0
[M]- 204.11559 153.0
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