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
cis-ethyl (1R,2S)-2-benzylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

204.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 144.3
[M+Na]+ 227.104258 152.9
[M-H]- 203.107764 151.8
[M+NH4]+ 222.148863 158.8
[M+K]+ 243.078198 150.2
[M+H-H2O]+ 187.112300 137.5
[M+HCOO]- 249.113241 167.8
[M+CH3COO]- 263.128891 189.4
[M+Na-2H]- 225.089706 149.2
[M]+ 204.11449142 148.6
[M]- 204.11558858 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