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
cis-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]+ 278.175076 164.1
[M+Na]+ 300.157018 172.2
[M-H]- 276.160524 173.0
[M+NH4]+ 295.201623 178.1
[M+K]+ 316.130958 171.1
[M+H-H2O]+ 260.165060 157.7
[M+HCOO]- 322.166001 187.8
[M+CH3COO]- 336.181651 208.6
[M+Na-2H]- 298.142466 167.4
[M]+ 277.16725142 172.2
[M]- 277.16834858 172.2
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.