CID 452675

Cyclopropyladenine

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3[C@H]([C@@H]3CO)CO)N
InChI
InChI=1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)8-5(1-16)6(8)2-17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-/m0/s1
InChIKey
BHCDKVGOWIANKM-WDSKDSINSA-N
Compound name
[(1S,3S)-2-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.10692 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 160.3
[M+Na]+ 258.09614 173.4
[M-H]- 234.09964 161.7
[M+NH4]+ 253.14074 169.8
[M+K]+ 274.07008 165.8
[M+H-H2O]+ 218.10418 152.4
[M+HCOO]- 280.10512 179.5
[M+CH3COO]- 294.12077 171.2
[M+Na-2H]- 256.08159 164.4
[M]+ 235.10637 163.6
[M]- 235.10747 163.6
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

patents stripe