CID 5288636

2-(acetyl-hydroxy-amino)-4-methyl-pentanoic acid methyl ester

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)C[C@H](C(=O)OC)N(C(=O)C)O
InChI
InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1
InChIKey
OVUHENJPIUQHLJ-MRVPVSSYSA-N
Compound name
methyl (2R)-2-[acetyl(hydroxy)amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.6
[M+Na]+ 226.10497 151.3
[M-H]- 202.10847 146.8
[M+NH4]+ 221.14957 165.2
[M+K]+ 242.07891 153.5
[M+H-H2O]+ 186.11301 141.2
[M+HCOO]- 248.11395 167.0
[M+CH3COO]- 262.12960 190.4
[M+Na-2H]- 224.09042 146.2
[M]+ 203.11520 149.3
[M]- 203.11630 149.3
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

No patent data available for this compound.