CID 99978887

1710472-48-2

Structural Information

Molecular Formula
C7H9ClN4
SMILES
CN1CCNC2=C1N=CN=C2Cl
InChI
InChI=1S/C7H9ClN4/c1-12-3-2-9-5-6(8)10-4-11-7(5)12/h4,9H,2-3H2,1H3
InChIKey
AESPQAJLORDANT-UHFFFAOYSA-N
Compound name
4-chloro-8-methyl-6,7-dihydro-5H-pteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05157 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05885 138.1
[M+Na]+ 207.04079 147.9
[M-H]- 183.04429 135.3
[M+NH4]+ 202.08539 153.8
[M+K]+ 223.01473 142.9
[M+H-H2O]+ 167.04883 129.9
[M+HCOO]- 229.04977 148.6
[M+CH3COO]- 243.06542 149.3
[M+Na-2H]- 205.02624 145.9
[M]+ 184.05102 135.8
[M]- 184.05212 135.8
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.