CID 441038

Muramic acid

Structural Information

Molecular Formula
C9H17NO7
SMILES
C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1N)O)CO)O
InChI
InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1
InChIKey
MSFSPUZXLOGKHJ-PGYHGBPZSA-N
Compound name
(2R)-2-[(3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

463
References

3994
Patents

251.1005 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10778 153.9
[M+Na]+ 274.08972 158.4
[M-H]- 250.09322 152.1
[M+NH4]+ 269.13432 166.4
[M+K]+ 290.06366 158.7
[M+H-H2O]+ 234.09776 148.2
[M+HCOO]- 296.09870 166.9
[M+CH3COO]- 310.11435 189.2
[M+Na-2H]- 272.07517 152.5
[M]+ 251.09995 150.7
[M]- 251.10105 150.7
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