CID 137628708

2421146-55-4

Structural Information

Molecular Formula

C₁₁H₁₅N₅O₂

SMILES

CCC1=NC2=NC=NN2C(=C1CCCC(=O)O)N

InChI

InChI=1S/C11H15N5O2/c1-2-8-7(4-3-5-9(17)18)10(12)16-11(15-8)13-6-14-16/h6H,2-5,12H2,1H3,(H,17,18)

InChIKey

SBOXHLTXNTZTBN-UHFFFAOYSA-N

Compound name

4-(7-amino-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.12257 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	250.129846	156.8
[M+Na]+	272.111788	167.0
[M-H]-	248.115294	155.3
[M+NH4]+	267.156393	170.7
[M+K]+	288.085728	162.8
[M+H-H2O]+	232.119830	148.2
[M+HCOO]-	294.120771	175.9
[M+CH3COO]-	308.136421	195.1
[M+Na-2H]-	270.097236	161.0
[M]+	249.12202142	159.5
[M]-	249.12311858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.