CID 135625285

Inosine 5'-methyl monophosphate

Structural Information

Molecular Formula
C11H15N4O8P
SMILES
COP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2N=CNC3=O)O)O
InChI
InChI=1S/C11H15N4O8P/c1-21-24(19,20)22-2-5-7(16)8(17)11(23-5)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,19,20)(H,12,13,18)/t5-,7-,8-,11?/m1/s1
InChIKey
NZCHVHYLLLDWIS-YNJARDAQSA-N
Compound name
[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

22
Patents

362.06274 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07002 175.2
[M+Na]+ 385.05196 183.0
[M-H]- 361.05546 173.8
[M+NH4]+ 380.09656 183.1
[M+K]+ 401.02590 182.5
[M+H-H2O]+ 345.06000 165.9
[M+HCOO]- 407.06094 192.7
[M+CH3COO]- 421.07659 203.4
[M+Na-2H]- 383.03741 175.0
[M]+ 362.06219 178.9
[M]- 362.06329 178.9
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