CID 74489

1771-03-5

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

CCCN1CNC(=O)NC1

InChI

InChI=1S/C6H13N3O/c1-2-3-9-4-7-6(10)8-5-9/h2-5H2,1H3,(H2,7,8,10)

InChIKey

DOKOLURCKPWOMU-UHFFFAOYSA-N

Compound name

5-propyl-1,3,5-triazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 143.10587 Da
Monoisotopic Mass: 0.3
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]+	144.113146	134.1
[M+Na]+	166.095088	140.1
[M-H]-	142.098594	130.0
[M+NH4]+	161.139693	150.0
[M+K]+	182.069028	137.3
[M+H-H2O]+	126.103130	126.7
[M+HCOO]-	188.104071	148.6
[M+CH3COO]-	202.119721	168.7
[M+Na-2H]-	164.080536	138.9
[M]+	143.10532142	127.4
[M]-	143.10641858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe