CID 3003182

(s)-2'd-methanocarba-c

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1[C@@H]2[C@]1(C[C@@H]([C@H]2CO)O)N3C=CC(=NC3=O)N
InChI
InChI=1S/C11H15N3O3/c12-9-1-2-14(10(17)13-9)11-3-7(11)6(5-15)8(16)4-11/h1-2,6-8,15-16H,3-5H2,(H2,12,13,17)/t6-,7-,8-,11-/m0/s1
InChIKey
JGSHOZAECFKCME-UGYAYLCHSA-N
Compound name
4-amino-1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)-1-bicyclo[3.1.0]hexanyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 153.8
[M+Na]+ 260.10056 165.4
[M-H]- 236.10406 157.4
[M+NH4]+ 255.14516 167.5
[M+K]+ 276.07450 159.8
[M+H-H2O]+ 220.10860 148.3
[M+HCOO]- 282.10954 172.2
[M+CH3COO]- 296.12519 191.3
[M+Na-2H]- 258.08601 157.7
[M]+ 237.11079 155.2
[M]- 237.11189 155.2
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.