CID 3071046

87252-88-8

Structural Information

Molecular Formula
C17H27NO2
SMILES
CC(C)(C)CCCCCOC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C17H27NO2/c1-17(2,3)12-8-5-9-13-20-16(19)15(18)14-10-6-4-7-11-14/h4,6-7,10-11,15H,5,8-9,12-13,18H2,1-3H3
InChIKey
GPFWZMAKFDXPTJ-UHFFFAOYSA-N
Compound name
6,6-dimethylheptyl 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.211476 171.5
[M+Na]+ 300.193418 174.9
[M-H]- 276.196924 173.5
[M+NH4]+ 295.238023 187.0
[M+K]+ 316.167358 172.5
[M+H-H2O]+ 260.201460 164.6
[M+HCOO]- 322.202401 190.9
[M+CH3COO]- 336.218051 203.5
[M+Na-2H]- 298.178866 172.9
[M]+ 277.20365142 172.8
[M]- 277.20474858 172.8
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.