CID 3071042

87252-86-6

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)(C)CCOC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C14H21NO2/c1-14(2,3)9-10-17-13(16)12(15)11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3
InChIKey
REFYGGGJEQYECI-UHFFFAOYSA-N
Compound name
3,3-dimethylbutyl 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 157.5
[M+Na]+ 258.146448 162.3
[M-H]- 234.149954 160.2
[M+NH4]+ 253.191053 174.8
[M+K]+ 274.120388 160.6
[M+H-H2O]+ 218.154490 151.2
[M+HCOO]- 280.155431 178.0
[M+CH3COO]- 294.171081 194.5
[M+Na-2H]- 256.131896 160.5
[M]+ 235.15668142 157.8
[M]- 235.15777858 157.8
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.