CID 58481

101516-98-7

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)N
InChI
InChI=1S/C17H25NO2/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11,18H2,1-3H3
InChIKey
XSDOHDZHBPZCBH-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.6
[M+Na]+ 298.177758 171.6
[M-H]- 274.181264 173.0
[M+NH4]+ 293.222363 185.0
[M+K]+ 314.151698 169.1
[M+H-H2O]+ 258.185800 160.7
[M+HCOO]- 320.186741 185.7
[M+CH3COO]- 334.202391 202.5
[M+Na-2H]- 296.163206 167.7
[M]+ 275.18799142 163.7
[M]- 275.18908858 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.