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

literature stripe

Patent stripe

patents stripe