CID 475108

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

Structural Information

Molecular Formula
C11H18N4O
SMILES
C1C[C@@H]([C@H](C1)NC2=NC=NC=C2N)CCO
InChI
InChI=1S/C11H18N4O/c12-9-6-13-7-14-11(9)15-10-3-1-2-8(10)4-5-16/h6-8,10,16H,1-5,12H2,(H,13,14,15)/t8-,10+/m1/s1
InChIKey
WHDMZEGQSUWYFP-SCZZXKLOSA-N
Compound name
2-[(1R,2S)-2-[(5-aminopyrimidin-4-yl)amino]cyclopentyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 149.4
[M+Na]+ 245.13728 154.8
[M-H]- 221.14078 151.4
[M+NH4]+ 240.18188 165.2
[M+K]+ 261.11122 151.1
[M+H-H2O]+ 205.14532 140.8
[M+HCOO]- 267.14626 170.3
[M+CH3COO]- 281.16191 190.1
[M+Na-2H]- 243.12273 152.7
[M]+ 222.14751 144.3
[M]- 222.14861 144.3
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.