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

literature stripe

Patent stripe

patents stripe