CID 135860540

1803585-36-5

Structural Information

Molecular Formula

C₈H₁₁N₅O

SMILES

CC1C(=C(NC2=NN=NN12)C)C(=O)C

InChI

InChI=1S/C8H11N5O/c1-4-7(6(3)14)5(2)13-8(9-4)10-11-12-13/h5H,1-3H3,(H,9,10,12)

InChIKey

QVJRWPYRFBQJNQ-UHFFFAOYSA-N

Compound name

1-(5,7-dimethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.09636 Da
Monoisotopic Mass: 0.2
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]+	194.103636	144.9
[M+Na]+	216.085578	155.7
[M-H]-	192.089084	142.2
[M+NH4]+	211.130183	160.3
[M+K]+	232.059518	152.2
[M+H-H2O]+	176.093620	136.5
[M+HCOO]-	238.094561	160.2
[M+CH3COO]-	252.110211	183.4
[M+Na-2H]-	214.071026	148.8
[M]+	193.09581142	144.6
[M]-	193.09690858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe