CID 15927964

2-amino-5-hydroxy-4-methylpentanoic acid

Structural Information

Molecular Formula
C6H13NO3
SMILES
C[C@H](C[C@@H](C(=O)O)N)CO
InChI
InChI=1S/C6H13NO3/c1-4(3-8)2-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKey
SDCAQJCTUOFAKD-UHNVWZDZSA-N
Compound name
(2S,4R)-2-amino-5-hydroxy-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

83
Patents

147.08954 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.096816 133.5
[M+Na]+ 170.078758 138.5
[M-H]- 146.082264 130.4
[M+NH4]+ 165.123363 152.6
[M+K]+ 186.052698 138.2
[M+H-H2O]+ 130.086800 128.7
[M+HCOO]- 192.087741 152.5
[M+CH3COO]- 206.103391 174.0
[M+Na-2H]- 168.064206 134.6
[M]+ 147.08899142 130.6
[M]- 147.09008858 130.6
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