CID 11673136

(e)-4-(6-chloropurin-9-yl)-2-methyl-but-2-en-1-ol

Structural Information

Molecular Formula
C10H11ClN4O
SMILES
C/C(=C\CN1C=NC2=C1N=CN=C2Cl)/CO
InChI
InChI=1S/C10H11ClN4O/c1-7(4-16)2-3-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6,16H,3-4H2,1H3/b7-2+
InChIKey
ZEFZSTYOMADTMJ-FARCUNLSSA-N
Compound name
(E)-4-(6-chloropurin-9-yl)-2-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.06213 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06941 150.6
[M+Na]+ 261.05135 162.1
[M-H]- 237.05485 148.9
[M+NH4]+ 256.09595 166.2
[M+K]+ 277.02529 156.4
[M+H-H2O]+ 221.05939 142.4
[M+HCOO]- 283.06033 164.6
[M+CH3COO]- 297.07598 162.3
[M+Na-2H]- 259.03680 155.9
[M]+ 238.06158 154.5
[M]- 238.06268 154.5
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.