CID 512274

(2s)-4-(2-amino-1,6-dihydropurin-9-yl)butane-1,2-diol

Structural Information

Molecular Formula
C9H15N5O2
SMILES
C1C2=C(NC(=N1)N)N(C=N2)CC[C@@H](CO)O
InChI
InChI=1S/C9H15N5O2/c10-9-11-3-7-8(13-9)14(5-12-7)2-1-6(16)4-15/h5-6,15-16H,1-4H2,(H3,10,11,13)/t6-/m0/s1
InChIKey
XKFDHONFSRSGPK-LURJTMIESA-N
Compound name
(2S)-4-(2-amino-3,6-dihydropurin-9-yl)butane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.12257 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12985 151.0
[M+Na]+ 248.11179 158.0
[M-H]- 224.11529 146.0
[M+NH4]+ 243.15639 164.1
[M+K]+ 264.08573 153.9
[M+H-H2O]+ 208.11983 142.9
[M+HCOO]- 270.12077 164.8
[M+CH3COO]- 284.13642 184.8
[M+Na-2H]- 246.09724 154.2
[M]+ 225.12202 147.0
[M]- 225.12312 147.0
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.