CID 482844

[(1r,2r)-2-[(2-amino-6-chloro-purin-7-yl)methyl]-3-methylene-cyclopropyl]methanol

Structural Information

Molecular Formula
C11H12ClN5O
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=NC3=C2C(=NC(=N3)N)Cl
InChI
InChI=1S/C11H12ClN5O/c1-5-6(7(5)3-18)2-17-4-14-10-8(17)9(12)15-11(13)16-10/h4,6-7,18H,1-3H2,(H2,13,15,16)/t6-,7-/m0/s1
InChIKey
MZEYQBHHNQZQAH-BQBZGAKWSA-N
Compound name
[(1R,2R)-2-[(2-amino-6-chloropurin-7-yl)methyl]-3-methylidenecyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.07303 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08031 167.1
[M+Na]+ 288.06225 181.6
[M-H]- 264.06575 169.2
[M+NH4]+ 283.10685 176.9
[M+K]+ 304.03619 172.2
[M+H-H2O]+ 248.07029 159.1
[M+HCOO]- 310.07123 182.5
[M+CH3COO]- 324.08688 178.0
[M+Na-2H]- 286.04770 169.5
[M]+ 265.07248 172.1
[M]- 265.07358 172.1
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.