CID 75735

Methyl 2-amino-3-methylpentanoate

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC[C@H](C)[C@@H](C(=O)OC)N
InChI
InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1
InChIKey
YXMMTUJDQTVJEN-WDSKDSINSA-N
Compound name
methyl (2S,3S)-2-amino-3-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1877
Patents

145.11028 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe