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

literature stripe

Patent stripe

patents stripe