CID 475109

2-[(1r,2s)-2-[(5,6-diaminopyrimidin-4-yl)amino]cyclopentyl]ethanol

Structural Information

Molecular Formula
C11H19N5O
SMILES
C1C[C@@H]([C@H](C1)NC2=NC=NC(=C2N)N)CCO
InChI
InChI=1S/C11H19N5O/c12-9-10(13)14-6-15-11(9)16-8-3-1-2-7(8)4-5-17/h6-8,17H,1-5,12H2,(H3,13,14,15,16)/t7-,8+/m1/s1
InChIKey
XUDHJKARDVJEME-SFYZADRCSA-N
Compound name
2-[(1R,2S)-2-[(5,6-diaminopyrimidin-4-yl)amino]cyclopentyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15897 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16625 152.4
[M+Na]+ 260.14819 157.9
[M-H]- 236.15169 154.4
[M+NH4]+ 255.19279 167.3
[M+K]+ 276.12213 154.0
[M+H-H2O]+ 220.15623 143.8
[M+HCOO]- 282.15717 173.7
[M+CH3COO]- 296.17282 196.2
[M+Na-2H]- 258.13364 154.7
[M]+ 237.15842 146.2
[M]- 237.15952 146.2
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.