CID 62824

27277-00-5

Structural Information

Molecular Formula

C₉H₁₃N₅O

SMILES

CCCN1C(=O)C(=CN2C1=NC(=N2)N)C

InChI

InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)

InChIKey

UQDVRVNMIJAGRK-UHFFFAOYSA-N

Compound name

2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 25
References: 276
Patents: 207.11201 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]+	208.11929	144.3
[M+Na]+	230.10123	157.6
[M+NH4]+	225.14583	150.6
[M+K]+	246.07517	154.1
[M-H]-	206.10473	144.2
[M+Na-2H]-	228.08668	149.3
[M]+	207.11146	146.0
[M]-	207.11256	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe