CID 50453

69357-14-8

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCCCCCCCCOC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-11-14-20-17(19)16(18)15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14,18H2,1H3
InChIKey
MBJIFZDUTLOSJP-UHFFFAOYSA-N
Compound name
nonyl 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 170.7
[M+Na]+ 300.19342 179.9
[M+NH4]+ 295.23802 177.2
[M+K]+ 316.16736 173.0
[M-H]- 276.19692 172.2
[M+Na-2H]- 298.17887 174.8
[M]+ 277.20365 172.1
[M]- 277.20475 172.1
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.