CID 454014

2am6clp-9(proh-3yl)

Structural Information

Molecular Formula
C8H10ClN5O
SMILES
C1=NC2=C(N1CCCO)N=C(N=C2Cl)N
InChI
InChI=1S/C8H10ClN5O/c9-6-5-7(13-8(10)12-6)14(4-11-5)2-1-3-15/h4,15H,1-3H2,(H2,10,12,13)
InChIKey
FZMKSKSIUUCEQW-UHFFFAOYSA-N
Compound name
3-(2-amino-6-chloropurin-9-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06467 146.6
[M+Na]+ 250.04661 158.9
[M-H]- 226.05011 145.0
[M+NH4]+ 245.09121 162.5
[M+K]+ 266.02055 153.4
[M+H-H2O]+ 210.05465 138.6
[M+HCOO]- 272.05559 162.6
[M+CH3COO]- 286.07124 158.7
[M+Na-2H]- 248.03206 152.9
[M]+ 227.05684 149.9
[M]- 227.05794 149.9
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.