CID 165508028

2503206-61-7

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

CC1=NN2CCNCC2=C1C(=O)O

InChI

InChI=1S/C8H11N3O2/c1-5-7(8(12)13)6-4-9-2-3-11(6)10-5/h9H,2-4H2,1H3,(H,12,13)

InChIKey

DMLJOTHCBNSIIN-UHFFFAOYSA-N

Compound name

2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.08513 Da
Monoisotopic Mass: -3.0
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]+	182.092406	139.4
[M+Na]+	204.074348	147.5
[M-H]-	180.077854	137.3
[M+NH4]+	199.118953	156.8
[M+K]+	220.048288	144.4
[M+H-H2O]+	164.082390	132.4
[M+HCOO]-	226.083331	154.6
[M+CH3COO]-	240.098981	176.0
[M+Na-2H]-	202.059796	142.9
[M]+	181.08458142	135.8
[M]-	181.08567858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe