CID 130738936

4-chloro-5,6,7,8-tetrahydropteridine

Structural Information

Molecular Formula
C6H7ClN4
SMILES
C1CNC2=C(N1)C(=NC=N2)Cl
InChI
InChI=1S/C6H7ClN4/c7-5-4-6(11-3-10-5)9-2-1-8-4/h3,8H,1-2H2,(H,9,10,11)
InChIKey
NXQKSNJZZIASOF-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7,8-tetrahydropteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.03592 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04320 133.3
[M+Na]+ 193.02514 142.3
[M-H]- 169.02864 129.0
[M+NH4]+ 188.06974 148.6
[M+K]+ 208.99908 136.6
[M+H-H2O]+ 153.03318 125.5
[M+HCOO]- 215.03412 142.7
[M+CH3COO]- 229.04977 143.9
[M+Na-2H]- 191.01059 142.1
[M]+ 170.03537 128.5
[M]- 170.03647 128.5
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.