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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 156.8
[M+Na]+ 272.11179 167.0
[M-H]- 248.11529 155.3
[M+NH4]+ 267.15639 170.7
[M+K]+ 288.08573 162.8
[M+H-H2O]+ 232.11983 148.2
[M+HCOO]- 294.12077 175.9
[M+CH3COO]- 308.13642 195.1
[M+Na-2H]- 270.09724 161.0
[M]+ 249.12202 159.5
[M]- 249.12312 159.5
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.