CID 469176

[2-[(2,6-diaminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1C(C1(CN2C=NC3=C(N=C(N=C32)N)N)CO)CO
InChI
InChI=1S/C11H16N6O2/c12-8-7-9(16-10(13)15-8)17(5-14-7)3-11(4-19)1-6(11)2-18/h5-6,18-19H,1-4H2,(H4,12,13,15,16)
InChIKey
YXOIFRFGKFGKSL-UHFFFAOYSA-N
Compound name
[2-[(2,6-diaminopurin-9-yl)methyl]-2-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.13348 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 165.0
[M+Na]+ 287.12270 177.6
[M-H]- 263.12620 166.2
[M+NH4]+ 282.16730 174.8
[M+K]+ 303.09664 170.3
[M+H-H2O]+ 247.13074 158.0
[M+HCOO]- 309.13168 184.0
[M+CH3COO]- 323.14733 175.3
[M+Na-2H]- 285.10815 169.8
[M]+ 264.13293 167.8
[M]- 264.13403 167.8
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.