CID 451529

Nr-62114

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C=C1[C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H11N5O2/c1-5-6(2-16)17-10(5)15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6,10,16H,1-2H2,(H2,11,12,13)/t6-,10-/m1/s1
InChIKey
UHHOVABAROJWLV-LHLIQPBNSA-N
Compound name
[(2S,4R)-4-(6-aminopurin-9-yl)-3-methylideneoxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09128 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 151.4
[M+Na]+ 256.08050 161.1
[M-H]- 232.08400 153.5
[M+NH4]+ 251.12510 158.3
[M+K]+ 272.05444 160.8
[M+H-H2O]+ 216.08854 137.3
[M+HCOO]- 278.08948 168.8
[M+CH3COO]- 292.10513 162.6
[M+Na-2H]- 254.06595 155.8
[M]+ 233.09073 160.9
[M]- 233.09183 160.9
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.