CID 3071044

Dl-2-phenylglycine 5,5-dimethylhexyl ester hydrochloride

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)CCCCOC(=O)C(C1=CC=CC=C1)N
InChI
InChI=1S/C16H25NO2/c1-16(2,3)11-7-8-12-19-15(18)14(17)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12,17H2,1-3H3
InChIKey
DUXVWLKDNIALGV-UHFFFAOYSA-N
Compound name
5,5-dimethylhexyl 2-amino-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 166.9
[M+Na]+ 286.17776 170.7
[M-H]- 262.18126 169.1
[M+NH4]+ 281.22236 182.9
[M+K]+ 302.15170 168.6
[M+H-H2O]+ 246.18580 160.1
[M+HCOO]- 308.18674 186.6
[M+CH3COO]- 322.20239 200.5
[M+Na-2H]- 284.16321 168.8
[M]+ 263.18799 167.8
[M]- 263.18909 167.8
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.