CID 99137

2(1h)-pyrimidinone, tetrahydro-1,3-dipropyl-

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CCCN1CCCN(C1=O)CCC

InChI

InChI=1S/C10H20N2O/c1-3-6-11-8-5-9-12(7-4-2)10(11)13/h3-9H2,1-2H3

InChIKey

ODKMQTILEDNYHL-UHFFFAOYSA-N

Compound name

1,3-dipropyl-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 184.15756 Da
Monoisotopic Mass: 2.2
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]+	185.164836	144.6
[M+Na]+	207.146778	150.7
[M-H]-	183.150284	144.6
[M+NH4]+	202.191383	162.1
[M+K]+	223.120718	149.0
[M+H-H2O]+	167.154820	137.3
[M+HCOO]-	229.155761	162.2
[M+CH3COO]-	243.171411	184.3
[M+Na-2H]-	205.132226	147.8
[M]+	184.15701142	143.1
[M]-	184.15810858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe