CID 3071066

87252-98-0

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)(C)CCOC(=O)CC(C1=CC=CC=C1)N
InChI
InChI=1S/C15H23NO2/c1-15(2,3)9-10-18-14(17)11-13(16)12-7-5-4-6-8-12/h4-8,13H,9-11,16H2,1-3H3
InChIKey
ZLZAVXNHVOIDRY-UHFFFAOYSA-N
Compound name
3,3-dimethylbutyl 3-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 162.2
[M+Na]+ 272.162098 166.5
[M-H]- 248.165604 164.6
[M+NH4]+ 267.206703 178.9
[M+K]+ 288.136038 164.6
[M+H-H2O]+ 232.170140 155.7
[M+HCOO]- 294.171081 182.3
[M+CH3COO]- 308.186731 197.5
[M+Na-2H]- 270.147546 164.7
[M]+ 249.17233142 162.8
[M]- 249.17342858 162.8
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.