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

literature stripe

Patent stripe

patents stripe