CID 6451313

2462-35-3

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C13H19NO2/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-/m0/s1
InChIKey
MBRRYUQWSOODEO-LBPRGKRZSA-N
Compound name
benzyl (2S)-2-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

960
Patents

221.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.8
[M+Na]+ 244.13081 162.5
[M+NH4]+ 239.17541 159.9
[M+K]+ 260.10475 157.5
[M-H]- 220.13431 154.3
[M+Na-2H]- 242.11626 157.6
[M]+ 221.14104 154.3
[M]- 221.14214 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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