CID 5289415

2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic acid

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(C)C[C@H](CN(C=O)O)C(=O)O
InChI
InChI=1S/C8H15NO4/c1-6(2)3-7(8(11)12)4-9(13)5-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKey
LFMOJNDZFCHHPV-SSDOTTSWSA-N
Compound name
(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 142.5
[M+Na]+ 212.08933 147.1
[M-H]- 188.09283 141.2
[M+NH4]+ 207.13393 160.7
[M+K]+ 228.06327 148.1
[M+H-H2O]+ 172.09737 137.2
[M+HCOO]- 234.09831 162.5
[M+CH3COO]- 248.11396 185.3
[M+Na-2H]- 210.07478 143.2
[M]+ 189.09956 143.6
[M]- 189.10066 143.6
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