CID 97740

7306-68-5

Structural Information

Molecular Formula

C₁₀H₁₁ClN₄O

SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C10H11ClN4O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2

InChIKey

QSTASPNCKDPSAH-UHFFFAOYSA-N

Compound name

6-chloro-9-(oxan-2-yl)purine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 535
Patents: 238.06213 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.06941	149.9
[M+Na]+	261.05135	160.1
[M-H]-	237.05485	152.3
[M+NH4]+	256.09595	164.1
[M+K]+	277.02529	156.1
[M+H-H2O]+	221.05939	139.9
[M+HCOO]-	283.06033	162.1
[M+CH3COO]-	297.07598	161.5
[M+Na-2H]-	259.03680	156.0
[M]+	238.06158	150.7
[M]-	238.06268	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe