CID 479235

Chembl75660

Structural Information

Molecular Formula
C10H13N5O
SMILES
C1[C@@H]([C@@H]1CO)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKey
NNYMIADSBHJTLA-RQJHMYQMSA-N
Compound name
[(1R,2S)-2-[(6-aminopurin-9-yl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

219.11201 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11929 157.4
[M+Na]+ 242.10123 170.2
[M-H]- 218.10473 159.6
[M+NH4]+ 237.14583 168.0
[M+K]+ 258.07517 163.1
[M+H-H2O]+ 202.10927 148.9
[M+HCOO]- 264.11021 177.9
[M+CH3COO]- 278.12586 168.7
[M+Na-2H]- 240.08668 162.5
[M]+ 219.11146 160.5
[M]- 219.11256 160.5
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.