CID 136047357

Trihydrobiopterin(.1+)

Structural Information

Molecular Formula
C9H14N5O3
SMILES
CC(C(C1CNC2=C([N]1)C(=O)NC(=N2)N)O)O
InChI
InChI=1S/C9H14N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChIKey
ASPXISWENZXFMZ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.10966 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11694 155.6
[M+Na]+ 263.09888 162.3
[M-H]- 239.10238 149.3
[M+NH4]+ 258.14348 165.6
[M+K]+ 279.07282 157.6
[M+H-H2O]+ 223.10692 148.0
[M+HCOO]- 285.10786 165.0
[M+CH3COO]- 299.12351 187.2
[M+Na-2H]- 261.08433 158.2
[M]+ 240.10911 148.3
[M]- 240.11021 148.3
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.