CID 494907

Nsc636182

Structural Information

Molecular Formula
C10H11F2N5O
SMILES
C1C(C(C1(F)F)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H11F2N5O/c11-10(12)1-5(2-18)7(10)17-4-16-6-8(13)14-3-15-9(6)17/h3-5,7,18H,1-2H2,(H2,13,14,15)
InChIKey
KXJWUSCCXPVVBK-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)-3,3-difluorocyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09317 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10045 156.1
[M+Na]+ 278.08239 166.8
[M-H]- 254.08589 155.5
[M+NH4]+ 273.12699 165.5
[M+K]+ 294.05633 164.7
[M+H-H2O]+ 238.09043 141.2
[M+HCOO]- 300.09137 172.2
[M+CH3COO]- 314.10702 166.6
[M+Na-2H]- 276.06784 160.1
[M]+ 255.09262 162.8
[M]- 255.09372 162.8
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.