CID 95395640

151112-05-9

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1[C@H](NC(=O)N2C1=CN=C2)C(=O)O
InChI
InChI=1S/C7H7N3O3/c11-6(12)5-1-4-2-8-3-10(4)7(13)9-5/h2-3,5H,1H2,(H,9,13)(H,11,12)/t5-/m0/s1
InChIKey
QRHVJFJTKLUIDU-YFKPBYRVSA-N
Compound name
(7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04874 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 136.3
[M+Na]+ 204.03796 145.0
[M-H]- 180.04146 134.4
[M+NH4]+ 199.08256 153.5
[M+K]+ 220.01190 142.1
[M+H-H2O]+ 164.04600 129.4
[M+HCOO]- 226.04694 152.3
[M+CH3COO]- 240.06259 174.4
[M+Na-2H]- 202.02341 140.5
[M]+ 181.04819 133.1
[M]- 181.04929 133.1
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.