CID 169492787

Chebi:228147

Structural Information

Molecular Formula
C11H19NO7
SMILES
CC(C)[C@@H](C(=O)O)N=C[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C11H19NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(13)3-19-11/h4-9,13-15,18H,3H2,1-2H3,(H,16,17)/t6-,7+,8-,9+,11-/m1/s1
InChIKey
NZMIEXITDXNBBG-RKYHVTRTSA-N
Compound name
(2S)-3-methyl-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylideneamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.11615 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12343 160.3
[M+Na]+ 300.10537 164.1
[M-H]- 276.10887 158.7
[M+NH4]+ 295.14997 173.7
[M+K]+ 316.07931 164.7
[M+H-H2O]+ 260.11341 155.9
[M+HCOO]- 322.11435 172.5
[M+CH3COO]- 336.13000 193.4
[M+Na-2H]- 298.09082 160.1
[M]+ 277.11560 157.5
[M]- 277.11670 157.5
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

No patent data available for this compound.