CID 10858138

Benzyl (2s)-2-amino-3,3-dimethylbutanoate hydrochloride

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)[C@@H](C(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C13H19NO2/c1-13(2,3)11(14)12(15)16-9-10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m1/s1
InChIKey
CFEYNMWFKQPQMR-LLVKDONJSA-N
Compound name
benzyl (2S)-2-amino-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

221.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.9
[M+Na]+ 244.130808 158.0
[M-H]- 220.134314 155.7
[M+NH4]+ 239.175413 170.7
[M+K]+ 260.104748 156.6
[M+H-H2O]+ 204.138850 146.8
[M+HCOO]- 266.139791 173.7
[M+CH3COO]- 280.155441 191.4
[M+Na-2H]- 242.116256 156.4
[M]+ 221.14104142 152.7
[M]- 221.14213858 152.7
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

patents stripe