CID 3006204

[(2z)-2-[(2-aminopurin-9-yl)methylene]cyclopropyl]methanol

Structural Information

Molecular Formula
C10H11N5O
SMILES
C\1C(/C1=C\N2C=NC3=CN=C(N=C32)N)CO
InChI
InChI=1S/C10H11N5O/c11-10-12-2-8-9(14-10)15(5-13-8)3-6-1-7(6)4-16/h2-3,5,7,16H,1,4H2,(H2,11,12,14)/b6-3-
InChIKey
NDZWKTATYVEOKE-UTCJRWHESA-N
Compound name
[(2Z)-2-[(2-aminopurin-9-yl)methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

217.09636 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 157.5
[M+Na]+ 240.08558 170.7
[M-H]- 216.08908 159.8
[M+NH4]+ 235.13018 168.1
[M+K]+ 256.05952 163.0
[M+H-H2O]+ 200.09362 149.0
[M+HCOO]- 262.09456 178.1
[M+CH3COO]- 276.11021 168.8
[M+Na-2H]- 238.07103 162.5
[M]+ 217.09581 159.9
[M]- 217.09691 159.9
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.