CID 440996

N-acetyl-d-glucosamine 6-phosphate

Structural Information

Molecular Formula
C8H16NO9P
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O
InChI
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
InChIKey
BRGMHAYQAZFZDJ-RTRLPJTCSA-N
Compound name
[(2R,3S,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

37
References

1270
Patents

301.05627 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06355 162.4
[M+Na]+ 324.04549 165.6
[M+NH4]+ 319.09009 163.3
[M+K]+ 340.01943 168.4
[M-H]- 300.04899 157.8
[M+Na-2H]- 322.03094 158.2
[M]+ 301.05572 160.4
[M]- 301.05682 160.4
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