CID 2819069

Maybridge3_003509

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CC1=CC(=O)N2C(=N1)C=C(N2)C3CC3

InChI

InChI=1S/C10H11N3O/c1-6-4-10(14)13-9(11-6)5-8(12-13)7-2-3-7/h4-5,7,12H,2-3H2,1H3

InChIKey

RGKSXMUUXBDNQH-UHFFFAOYSA-N

Compound name

2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 18
Patents: 189.09021 Da
Monoisotopic Mass: 0.6
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]+	190.097486	147.2
[M+Na]+	212.079428	161.1
[M-H]-	188.082934	151.3
[M+NH4]+	207.124033	160.8
[M+K]+	228.053368	154.6
[M+H-H2O]+	172.087470	139.5
[M+HCOO]-	234.088411	168.7
[M+CH3COO]-	248.104061	160.2
[M+Na-2H]-	210.064876	152.9
[M]+	189.08966142	150.8
[M]-	189.09075858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe