CID 59686

Brn 5563736

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)CCNC(=O)[C@@H]1C[C@H]1COC2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-12(2)8-9-17-16(18)15-10-13(15)11-19-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,17,18)/t13-,15+/m0/s1
InChIKey
PMDDWBSJSVMEBN-DZGCQCFKSA-N
Compound name
(1R,2R)-N-(3-methylbutyl)-2-(phenoxymethyl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.0
[M+Na]+ 284.16210 173.8
[M+NH4]+ 279.20670 170.0
[M+K]+ 300.13604 168.9
[M-H]- 260.16560 172.0
[M+Na-2H]- 282.14755 170.4
[M]+ 261.17233 167.5
[M]- 261.17343 167.5
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.