CID 90659182

4-o-acetyl-n-acetylmannosamine

Structural Information

Molecular Formula
C10H17NO7
SMILES
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)OC(=O)C)O
InChI
InChI=1S/C10H17NO7/c1-4(13)11-7-8(15)9(17-5(2)14)6(3-12)18-10(7)16/h6-10,12,15-16H,3H2,1-2H3,(H,11,13)/t6-,7+,8-,9-,10+/m1/s1
InChIKey
IUMAERNNNSJETG-ZOZBQHSOSA-N
Compound name
[(2R,3S,4R,5S,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

263.1005 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10778 156.1
[M+Na]+ 286.08972 161.1
[M-H]- 262.09322 156.2
[M+NH4]+ 281.13432 169.2
[M+K]+ 302.06366 161.7
[M+H-H2O]+ 246.09776 150.3
[M+HCOO]- 308.09870 171.2
[M+CH3COO]- 322.11435 192.6
[M+Na-2H]- 284.07517 155.9
[M]+ 263.09995 155.3
[M]- 263.10105 155.3
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

patents stripe