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]+ 220.11929 149.3
[M+Na]+ 242.10123 159.4
[M-H]- 218.10473 147.7
[M+NH4]+ 237.14583 164.5
[M+K]+ 258.07517 154.9
[M+H-H2O]+ 202.10927 140.8
[M+HCOO]- 264.11021 168.7
[M+CH3COO]- 278.12586 188.1
[M+Na-2H]- 240.08668 154.9
[M]+ 219.11146 150.0
[M]- 219.11256 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.