CID 14663766

97023-67-1

Structural Information

Molecular Formula
C13H16O2
SMILES
CCOC(=O)C1CC1C2=CC=C(C=C2)C
InChI
InChI=1S/C13H16O2/c1-3-15-13(14)12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3
InChIKey
JWOBMCBGTXAJBG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

204.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 143.6
[M+Na]+ 227.104258 153.1
[M-H]- 203.107764 151.5
[M+NH4]+ 222.148863 158.3
[M+K]+ 243.078198 150.2
[M+H-H2O]+ 187.112300 137.0
[M+HCOO]- 249.113241 167.0
[M+CH3COO]- 263.128891 190.5
[M+Na-2H]- 225.089706 147.8
[M]+ 204.11449142 148.3
[M]- 204.11558858 148.3
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