CID 136300223

1557511-40-6

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC1CNC2=CC(=NN2C1)C

InChI

InChI=1S/C8H13N3/c1-6-4-9-8-3-7(2)10-11(8)5-6/h3,6,9H,4-5H2,1-2H3

InChIKey

QBRCWSAZDQPMNE-UHFFFAOYSA-N

Compound name

2,6-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 151.11095 Da
Monoisotopic Mass: 1.5
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]+	152.11823	133.1
[M+Na]+	174.10017	144.9
[M+NH4]+	169.14477	141.5
[M+K]+	190.07411	140.6
[M-H]-	150.10367	133.4
[M+Na-2H]-	172.08562	137.4
[M]+	151.11040	134.7
[M]-	151.11150	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe