CID 102515083

Alpha-cresolyl-ribotide

Structural Information

Molecular Formula
C12H17O8P
SMILES
CC1=CC=C(C=C1)O[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C12H17O8P/c1-7-2-4-8(5-3-7)19-12-11(14)10(13)9(20-12)6-18-21(15,16)17/h2-5,9-14H,6H2,1H3,(H2,15,16,17)/t9-,10-,11-,12+/m1/s1
InChIKey
GMYKEMRLZZRUFT-KKOKHZNYSA-N
Compound name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-methylphenoxy)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

320.0661 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07338 167.7
[M+Na]+ 343.05532 173.4
[M-H]- 319.05882 169.0
[M+NH4]+ 338.09992 180.1
[M+K]+ 359.02926 173.2
[M+H-H2O]+ 303.06336 160.0
[M+HCOO]- 365.06430 188.6
[M+CH3COO]- 379.07995 196.2
[M+Na-2H]- 341.04077 167.6
[M]+ 320.06555 170.0
[M]- 320.06665 170.0
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.