CID 135403659

6-biopterin

Structural Information

Molecular Formula
C9H11N5O3
SMILES
C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O
InChI
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1
InChIKey
LHQIJBMDNUYRAM-DZSWIPIPSA-N
Compound name
2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4109
References

5014
Patents

237.08618 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 152.6
[M+Na]+ 260.07540 161.7
[M-H]- 236.07890 148.4
[M+NH4]+ 255.12000 163.5
[M+K]+ 276.04934 157.2
[M+H-H2O]+ 220.08344 144.7
[M+HCOO]- 282.08438 166.4
[M+CH3COO]- 296.10003 188.6
[M+Na-2H]- 258.06085 157.7
[M]+ 237.08563 149.8
[M]- 237.08673 149.8
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.