CID 3002154

Trans-9-(4'-hydroxy-2'-methylbut-1'-enyl)adenine

Structural Information

Molecular Formula
C10H13N5O
SMILES
C/C(=C\N1C=NC2=C(N=CN=C21)N)/CCO
InChI
InChI=1S/C10H13N5O/c1-7(2-3-16)4-15-6-14-8-9(11)12-5-13-10(8)15/h4-6,16H,2-3H2,1H3,(H2,11,12,13)/b7-4+
InChIKey
SUFICVJBRQDPHX-QPJJXVBHSA-N
Compound name
(E)-4-(6-aminopurin-9-yl)-3-methylbut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11201 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.119286 149.3
[M+Na]+ 242.101228 159.4
[M-H]- 218.104734 147.7
[M+NH4]+ 237.145833 164.5
[M+K]+ 258.075168 154.9
[M+H-H2O]+ 202.109270 140.8
[M+HCOO]- 264.110211 168.7
[M+CH3COO]- 278.125861 188.1
[M+Na-2H]- 240.086676 154.9
[M]+ 219.11146142 150.0
[M]- 219.11255858 150.0
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.