CID 59687

102617-15-2

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCCNC(=O)[C@@H]1C[C@H]1COC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-8-15-14(16)13-9-11(13)10-17-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3,(H,15,16)/t11-,13+/m0/s1
InChIKey
FKVSAWRBJCRTQG-WCQYABFASA-N
Compound name
(1R,2R)-2-(phenoxymethyl)-N-propylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 151.5
[M+Na]+ 256.13081 158.9
[M-H]- 232.13431 158.7
[M+NH4]+ 251.17541 164.5
[M+K]+ 272.10475 155.5
[M+H-H2O]+ 216.13885 144.2
[M+HCOO]- 278.13979 175.7
[M+CH3COO]- 292.15544 196.9
[M+Na-2H]- 254.11626 156.2
[M]+ 233.14104 155.5
[M]- 233.14214 155.5
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.