CID 452613

125962-36-9

Structural Information

Molecular Formula
C10H13N5O
SMILES
C1C(CC1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H13N5O/c11-9-8-10(13-4-12-9)15(5-14-8)7-1-6(2-7)3-16/h4-7,16H,1-3H2,(H2,11,12,13)
InChIKey
IFSFFLAFQQYWAX-UHFFFAOYSA-N
Compound name
[3-(6-aminopurin-9-yl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

219.11201 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11929 148.1
[M+Na]+ 242.10123 156.9
[M-H]- 218.10473 149.4
[M+NH4]+ 237.14583 156.8
[M+K]+ 258.07517 155.7
[M+H-H2O]+ 202.10927 133.9
[M+HCOO]- 264.11021 166.3
[M+CH3COO]- 278.12586 159.1
[M+Na-2H]- 240.08668 153.1
[M]+ 219.11146 156.1
[M]- 219.11256 156.1
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.