CID 135435192

7-[(2r)-2-methylcyclohexyl]pteridin-4-ol

Structural Information

Molecular Formula
C13H16N4O
SMILES
C[C@@H]1CCCCC1C2=CN=C3C(=O)NC=NC3=N2
InChI
InChI=1S/C13H16N4O/c1-8-4-2-3-5-9(8)10-6-14-11-12(17-10)15-7-16-13(11)18/h6-9H,2-5H2,1H3,(H,15,16,17,18)/t8-,9?/m1/s1
InChIKey
CWCJYZLJMDBSRQ-VEDVMXKPSA-N
Compound name
7-[(2R)-2-methylcyclohexyl]-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 158.7
[M+Na]+ 267.12164 166.7
[M-H]- 243.12514 159.0
[M+NH4]+ 262.16624 170.7
[M+K]+ 283.09558 160.8
[M+H-H2O]+ 227.12968 148.2
[M+HCOO]- 289.13062 172.1
[M+CH3COO]- 303.14627 168.3
[M+Na-2H]- 265.10709 164.4
[M]+ 244.13187 153.8
[M]- 244.13297 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.