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
cis-(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]+ 262.180156 159.7
[M+Na]+ 284.162098 165.9
[M-H]- 260.165604 166.5
[M+NH4]+ 279.206703 171.4
[M+K]+ 300.136038 162.5
[M+H-H2O]+ 244.170140 152.2
[M+HCOO]- 306.171081 182.2
[M+CH3COO]- 320.186731 203.5
[M+Na-2H]- 282.147546 162.2
[M]+ 261.17233142 163.7
[M]- 261.17342858 163.7
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.