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
1
Annotation Hits

66
References

475
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

literature stripe

Patent stripe

patents stripe