CID 3006039

Zsm-i-32f

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1/C(=C/N2C=NC3=C(N=CN=C32)N)/C1(CO)CO
InChI
InChI=1S/C11H13N5O2/c12-9-8-10(14-5-13-9)16(6-15-8)2-7-1-11(7,3-17)4-18/h2,5-6,17-18H,1,3-4H2,(H2,12,13,14)/b7-2-
InChIKey
PXYOVTOZMPOHBK-UQCOIBPSSA-N
Compound name
[(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

247.10692 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 163.7
[M+Na]+ 270.09614 176.7
[M-H]- 246.09964 165.0
[M+NH4]+ 265.14074 174.4
[M+K]+ 286.07008 169.4
[M+H-H2O]+ 230.10418 156.4
[M+HCOO]- 292.10512 182.5
[M+CH3COO]- 306.12077 174.4
[M+Na-2H]- 268.08159 169.2
[M]+ 247.10637 166.7
[M]- 247.10747 166.7
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.