CID 471865

210355-01-4

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1C(C1=CN2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)
InChIKey
BOCARSGZHMZWCE-UHFFFAOYSA-N
Compound name
[2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

25
Patents

217.09636 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 157.5
[M+Na]+ 240.08558 170.7
[M-H]- 216.08908 159.8
[M+NH4]+ 235.13018 168.1
[M+K]+ 256.05952 163.0
[M+H-H2O]+ 200.09362 149.0
[M+HCOO]- 262.09456 178.1
[M+CH3COO]- 276.11021 168.8
[M+Na-2H]- 238.07103 162.5
[M]+ 217.09581 159.9
[M]- 217.09691 159.9
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