CID 3033712

(z)-2-((dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid 2-propenyl ester fumarate

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
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]+ 260.16451 160.3
[M+Na]+ 282.14645 167.9
[M-H]- 258.14995 168.9
[M+NH4]+ 277.19105 174.7
[M+K]+ 298.12039 165.9
[M+H-H2O]+ 242.15449 153.8
[M+HCOO]- 304.15543 184.1
[M+CH3COO]- 318.17108 204.7
[M+Na-2H]- 280.13190 164.2
[M]+ 259.15668 165.9
[M]- 259.15778 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.