CID 453865

2',3'-methanodt

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C3CC3[C@H](O2)CO
InChI
InChI=1S/C11H14N2O4/c1-5-3-13(11(16)12-9(5)15)10-7-2-6(7)8(4-14)17-10/h3,6-8,10,14H,2,4H2,1H3,(H,12,15,16)/t6?,7?,8-,10-/m1/s1
InChIKey
YOCSHJICEZRIRB-CJXRSZHYSA-N
Compound name
1-[(2R,4S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 155.0
[M+Na]+ 261.08457 167.7
[M-H]- 237.08807 159.7
[M+NH4]+ 256.12917 166.2
[M+K]+ 277.05851 162.5
[M+H-H2O]+ 221.09261 148.6
[M+HCOO]- 283.09355 172.4
[M+CH3COO]- 297.10920 190.2
[M+Na-2H]- 259.07002 157.7
[M]+ 238.09480 159.1
[M]- 238.09590 159.1
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.