CID 479152

(cis)-9-[(2-hydroxymethyl-3,3-difluorocyclopropyl)methyl]adenine

Structural Information

Molecular Formula
C10H11F2N5O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC3C(C3(F)F)CO)N
InChI
InChI=1S/C10H11F2N5O/c11-10(12)5(6(10)2-18)1-17-4-16-7-8(13)14-3-15-9(7)17/h3-6,18H,1-2H2,(H2,13,14,15)
InChIKey
JILDGKDFQGJLDP-UHFFFAOYSA-N
Compound name
[3-[(6-aminopurin-9-yl)methyl]-2,2-difluorocyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.09317 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10045 159.5
[M+Na]+ 278.08239 173.9
[M-H]- 254.08589 159.7
[M+NH4]+ 273.12699 170.7
[M+K]+ 294.05633 166.6
[M+H-H2O]+ 238.09043 150.2
[M+HCOO]- 300.09137 177.6
[M+CH3COO]- 314.10702 170.5
[M+Na-2H]- 276.06784 164.1
[M]+ 255.09262 161.5
[M]- 255.09372 161.5
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.