CID 469802

Schembl5934541

Structural Information

Molecular Formula
C10H12N6O
SMILES
C1C(C1=CN2C=NC3=C(N=C(N=C32)N)N)CO
InChI
InChI=1S/C10H12N6O/c11-8-7-9(15-10(12)14-8)16(4-13-7)2-5-1-6(5)3-17/h2,4,6,17H,1,3H2,(H4,11,12,14,15)
InChIKey
OSPGBSRVIFWAPG-UHFFFAOYSA-N
Compound name
[2-[(2,6-diaminopurin-9-yl)methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

232.10725 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11453 159.6
[M+Na]+ 255.09647 172.9
[M-H]- 231.09997 162.0
[M+NH4]+ 250.14107 169.4
[M+K]+ 271.07041 164.5
[M+H-H2O]+ 215.10451 151.5
[M+HCOO]- 277.10545 180.7
[M+CH3COO]- 291.12110 170.6
[M+Na-2H]- 253.08192 163.8
[M]+ 232.10670 161.0
[M]- 232.10780 161.0
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.