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

literature stripe

Patent stripe

patents stripe