CID 3069914

85467-24-9

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN(CCO)CCO)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO4/c1-2-22-16(21)17(14-6-4-3-5-7-14)12-15(17)13-18(8-10-19)9-11-20/h3-7,15,19-20H,2,8-13H2,1H3/t15-,17+/m1/s1
InChIKey
BMGOIBOIPWPBEJ-WBVHZDCISA-N
Compound name
ethyl (1R,2S)-2-[[bis(2-hydroxyethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 170.1
[M+Na]+ 330.16756 176.0
[M-H]- 306.17106 175.7
[M+NH4]+ 325.21216 181.2
[M+K]+ 346.14150 173.5
[M+H-H2O]+ 290.17560 163.8
[M+HCOO]- 352.17654 190.9
[M+CH3COO]- 366.19219 207.5
[M+Na-2H]- 328.15301 173.0
[M]+ 307.17779 176.1
[M]- 307.17889 176.1
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.