CID 55358

85467-77-2

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(C)C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H23NO3/c1-5-20-15(18)16(10-13(16)11-17(2)3)12-6-8-14(19-4)9-7-12/h6-9,13H,5,10-11H2,1-4H3/t13-,16+/m1/s1
InChIKey
IAUCPLJDBGXNHF-CJNGLKHVSA-N
Compound name
ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.7
[M+Na]+ 300.15702 178.1
[M+NH4]+ 295.20162 174.9
[M+K]+ 316.13096 172.0
[M-H]- 276.16052 175.9
[M+Na-2H]- 298.14247 175.5
[M]+ 277.16725 171.6
[M]- 277.16835 171.6
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

No patent data available for this compound.