CID 22841505

6-deoxy-6-(formylamino)-l-sorbose

Structural Information

Molecular Formula
C7H13NO6
SMILES
C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)NC=O
InChI
InChI=1S/C7H13NO6/c9-2-5(12)7(14)6(13)4(11)1-8-3-10/h3-4,6-7,9,11,13-14H,1-2H2,(H,8,10)/t4-,6+,7+/m0/s1
InChIKey
REYQKLHOAVJGBY-UBKIQSJTSA-N
Compound name
N-[(2S,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.07428 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08156 144.1
[M+Na]+ 230.06350 147.5
[M-H]- 206.06700 138.4
[M+NH4]+ 225.10810 159.1
[M+K]+ 246.03744 147.3
[M+H-H2O]+ 190.07154 138.7
[M+HCOO]- 252.07248 160.2
[M+CH3COO]- 266.08813 179.7
[M+Na-2H]- 228.04895 143.7
[M]+ 207.07373 141.8
[M]- 207.07483 141.8
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

patents stripe