CID 136555870

2059950-54-6

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CC1C(C(N2C(=CC=N2)N1)C)CCC(=O)O

InChI

InChI=1S/C11H17N3O2/c1-7-9(3-4-11(15)16)8(2)14-10(13-7)5-6-12-14/h5-9,13H,3-4H2,1-2H3,(H,15,16)

InChIKey

CBMOPDGKSHYFHW-UHFFFAOYSA-N

Compound name

3-(5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.13208 Da
Monoisotopic Mass: 1.2
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]+	224.139356	153.1
[M+Na]+	246.121298	160.8
[M-H]-	222.124804	150.8
[M+NH4]+	241.165903	169.2
[M+K]+	262.095238	157.0
[M+H-H2O]+	206.129340	145.9
[M+HCOO]-	268.130281	167.3
[M+CH3COO]-	282.145931	186.2
[M+Na-2H]-	244.106746	154.4
[M]+	223.13153142	150.9
[M]-	223.13262858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.