CID 482842

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

Structural Information

Molecular Formula
C11H11ClN4O
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=NC3=C2C(=NC=N3)Cl
InChI
InChI=1S/C11H11ClN4O/c1-6-7(8(6)3-17)2-16-5-15-11-9(16)10(12)13-4-14-11/h4-5,7-8,17H,1-3H2/t7-,8-/m0/s1
InChIKey
BWWNBXVHMNFCJS-YUMQZZPRSA-N
Compound name
[(1R,2R)-2-[(6-chloropurin-7-yl)methyl]-3-methylidenecyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.06213 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06941 163.9
[M+Na]+ 273.05135 178.3
[M-H]- 249.05485 166.0
[M+NH4]+ 268.09595 174.5
[M+K]+ 289.02529 169.7
[M+H-H2O]+ 233.05939 155.3
[M+HCOO]- 295.06033 178.8
[M+CH3COO]- 309.07598 175.1
[M+Na-2H]- 271.03680 167.2
[M]+ 250.06158 169.9
[M]- 250.06268 169.9
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

No patent data available for this compound.