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

71
Patents

221.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.9
[M+Na]+ 244.13081 158.0
[M-H]- 220.13431 155.7
[M+NH4]+ 239.17541 170.7
[M+K]+ 260.10475 156.6
[M+H-H2O]+ 204.13885 146.8
[M+HCOO]- 266.13979 173.7
[M+CH3COO]- 280.15544 191.4
[M+Na-2H]- 242.11626 156.4
[M]+ 221.14104 152.7
[M]- 221.14214 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