CID 5273966

[3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C15H24N6O
SMILES
CC1(C(CCC1(C)CO)CN2C=NC3=C(N=C(N=C32)N)N)C
InChI
InChI=1S/C15H24N6O/c1-14(2)9(4-5-15(14,3)7-22)6-21-8-18-10-11(16)19-13(17)20-12(10)21/h8-9,22H,4-7H2,1-3H3,(H4,16,17,19,20)
InChIKey
NDHLUBQLXNURAO-UHFFFAOYSA-N
Compound name
[3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.20117 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20845 168.7
[M+Na]+ 327.19039 179.5
[M-H]- 303.19389 171.0
[M+NH4]+ 322.23499 186.2
[M+K]+ 343.16433 174.4
[M+H-H2O]+ 287.19843 161.0
[M+HCOO]- 349.19937 187.3
[M+CH3COO]- 363.21502 179.6
[M+Na-2H]- 325.17584 170.9
[M]+ 304.20062 168.7
[M]- 304.20172 168.7
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.