CID 135409352

6-formylpterin

Structural Information

Molecular Formula
C7H5N5O2
SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)C=O
InChI
InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)
InChIKey
LLJAQDVNMGLRBD-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

66
References

485
Patents

191.04433 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05161 139.3
[M+Na]+ 214.03355 151.2
[M-H]- 190.03705 137.8
[M+NH4]+ 209.07815 153.6
[M+K]+ 230.00749 146.4
[M+H-H2O]+ 174.04159 131.0
[M+HCOO]- 236.04253 158.7
[M+CH3COO]- 250.05818 151.5
[M+Na-2H]- 212.01900 148.5
[M]+ 191.04378 138.4
[M]- 191.04488 138.4
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.