CID 452442

131652-74-9

Structural Information

Molecular Formula
C10H16N6O
SMILES
CN[C@H](CCN1C=NC2=C(N=CN=C21)N)CO
InChI
InChI=1S/C10H16N6O/c1-12-7(4-17)2-3-16-6-15-8-9(11)13-5-14-10(8)16/h5-7,12,17H,2-4H2,1H3,(H2,11,13,14)/t7-/m1/s1
InChIKey
CUMMDWUZFNELQH-SSDOTTSWSA-N
Compound name
(2R)-4-(6-aminopurin-9-yl)-2-(methylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13857 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14585 152.2
[M+Na]+ 259.12779 160.9
[M-H]- 235.13129 150.5
[M+NH4]+ 254.17239 166.2
[M+K]+ 275.10173 157.1
[M+H-H2O]+ 219.13583 143.2
[M+HCOO]- 281.13677 172.4
[M+CH3COO]- 295.15242 194.7
[M+Na-2H]- 257.11324 158.5
[M]+ 236.13802 152.9
[M]- 236.13912 152.9
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.