CID 146677528

Dtxsid501020797

Structural Information

Molecular Formula
C9H11N5O2
SMILES
CCC1=NC2=NC=NN2C(=C1CC(=O)O)N
InChI
InChI=1S/C9H11N5O2/c1-2-6-5(3-7(15)16)8(10)14-9(13-6)11-4-12-14/h4H,2-3,10H2,1H3,(H,15,16)
InChIKey
FLMGQFFLZHIWOW-UHFFFAOYSA-N
Compound name
2-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

221.09128 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09856 147.9
[M+Na]+ 244.08050 159.0
[M-H]- 220.08400 146.7
[M+NH4]+ 239.12510 163.0
[M+K]+ 260.05444 155.3
[M+H-H2O]+ 204.08854 139.7
[M+HCOO]- 266.08948 167.7
[M+CH3COO]- 280.10513 189.2
[M+Na-2H]- 242.06595 153.2
[M]+ 221.09073 150.0
[M]- 221.09183 150.0
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.