CID 53487345

679789-35-6

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)[C@H](CC(=O)OC)N
InChI
InChI=1S/C7H15NO2/c1-5(2)6(8)4-7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
InChIKey
VSYRRAKUNWIGRY-LURJTMIESA-N
Compound name
methyl (3S)-3-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

145.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 134.1
[M+Na]+ 168.09950 139.8
[M-H]- 144.10300 133.9
[M+NH4]+ 163.14410 155.0
[M+K]+ 184.07344 140.6
[M+H-H2O]+ 128.10754 129.2
[M+HCOO]- 190.10848 155.7
[M+CH3COO]- 204.12413 179.3
[M+Na-2H]- 166.08495 135.9
[M]+ 145.10973 134.1
[M]- 145.11083 134.1
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