CID 503713

(2s)-2-[(6-aminopurin-9-yl)methoxy]butan-1-ol

Structural Information

Molecular Formula
C10H15N5O2
SMILES
CC[C@@H](CO)OCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C10H15N5O2/c1-2-7(3-16)17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5,7,16H,2-3,6H2,1H3,(H2,11,12,13)/t7-/m0/s1
InChIKey
QJXCNFGHYLBSTA-ZETCQYMHSA-N
Compound name
(2S)-2-[(6-aminopurin-9-yl)methoxy]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.12257 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12985 152.2
[M+Na]+ 260.11179 161.7
[M-H]- 236.11529 150.4
[M+NH4]+ 255.15639 166.4
[M+K]+ 276.08573 158.4
[M+H-H2O]+ 220.11983 143.4
[M+HCOO]- 282.12077 171.5
[M+CH3COO]- 296.13642 191.7
[M+Na-2H]- 258.09724 157.8
[M]+ 237.12202 154.9
[M]- 237.12312 154.9
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.