CID 473813

Lucnvdpvgcjzjk-bqbzgakwsa-

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1=C[C@@H]([C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(7)3-16/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7-/m0/s1
InChIKey
LUCNVDPVGCJZJK-BQBZGAKWSA-N
Compound name
[(1R,4S)-4-(6-aminopurin-9-yl)cyclobut-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.09636 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 147.1
[M+Na]+ 240.08558 156.9
[M-H]- 216.08908 148.7
[M+NH4]+ 235.13018 155.9
[M+K]+ 256.05952 155.5
[M+H-H2O]+ 200.09362 132.9
[M+HCOO]- 262.09456 166.6
[M+CH3COO]- 276.11021 158.7
[M+Na-2H]- 238.07103 153.1
[M]+ 217.09581 156.4
[M]- 217.09691 156.5
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

No patent data available for this compound.