CID 3033712

85467-65-8

Structural Information

Molecular Formula
C16H21NO2
SMILES
CN(C)C[C@H]1C[C@@]1(C2=CC=CC=C2)C(=O)OCC=C
InChI
InChI=1S/C16H21NO2/c1-4-10-19-15(18)16(11-14(16)12-17(2)3)13-8-6-5-7-9-13/h4-9,14H,1,10-12H2,2-3H3/t14-,16+/m1/s1
InChIKey
XCWSLOVJMRJMLW-ZBFHGGJFSA-N
Compound name
cis-prop-2-enyl (1R,2S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 160.3
[M+Na]+ 282.146448 167.9
[M-H]- 258.149954 168.9
[M+NH4]+ 277.191053 174.7
[M+K]+ 298.120388 165.9
[M+H-H2O]+ 242.154490 153.8
[M+HCOO]- 304.155431 184.1
[M+CH3COO]- 318.171081 204.7
[M+Na-2H]- 280.131896 164.2
[M]+ 259.15668142 165.9
[M]- 259.15777858 165.9
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.