CID 156

5,6,7,8-tetrahydropteridine

Structural Information

Molecular Formula
C6H8N4
SMILES
C1CNC2=NC=NC=C2N1
InChI
InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
InChIKey
IDAICLIJTRXNER-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydropteridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

309
Patents

136.07489 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.082166 128.5
[M+Na]+ 159.064108 135.9
[M-H]- 135.067614 124.2
[M+NH4]+ 154.108713 144.1
[M+K]+ 175.038048 131.7
[M+H-H2O]+ 119.072150 120.2
[M+HCOO]- 181.073091 142.6
[M+CH3COO]- 195.088741 139.2
[M+Na-2H]- 157.049556 138.5
[M]+ 136.07434142 121.6
[M]- 136.07543858 121.6
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

patents stripe