CID 165642275

2803834-72-0

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CC1=CC2=C(N1)C(=NC=N2)C(=O)O
InChI
InChI=1S/C8H7N3O2/c1-4-2-5-6(11-4)7(8(12)13)10-3-9-5/h2-3,11H,1H3,(H,12,13)
InChIKey
HFBOVFJGDCLHJV-UHFFFAOYSA-N
Compound name
6-methyl-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 134.9
[M+Na]+ 200.04305 147.6
[M+NH4]+ 195.08765 141.6
[M+K]+ 216.01699 144.9
[M-H]- 176.04655 133.8
[M+Na-2H]- 198.02850 139.9
[M]+ 177.05328 136.1
[M]- 177.05438 136.1
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.