CID 484899

Schembl5934336

Structural Information

Molecular Formula
C11H13N5O2
SMILES
COC1=NC(=NC2=C1N=CN2C=C3CC3CO)N
InChI
InChI=1S/C11H13N5O2/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)3-6-2-7(6)4-17/h3,5,7,17H,2,4H2,1H3,(H2,12,14,15)
InChIKey
MGYFWNHVAGZCRJ-UHFFFAOYSA-N
Compound name
[2-[(2-amino-6-methoxypurin-9-yl)methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

247.10692 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 165.7
[M+Na]+ 270.09614 179.1
[M-H]- 246.09964 168.2
[M+NH4]+ 265.14074 175.3
[M+K]+ 286.07008 171.4
[M+H-H2O]+ 230.10418 157.3
[M+HCOO]- 292.10512 186.1
[M+CH3COO]- 306.12077 176.7
[M+Na-2H]- 268.08159 169.5
[M]+ 247.10637 170.2
[M]- 247.10747 170.2
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.