CID 45088567

670227-88-0

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1CNC(=O)N(C1)CCCO

InChI

InChI=1S/C7H14N2O2/c10-6-2-5-9-4-1-3-8-7(9)11/h10H,1-6H2,(H,8,11)

InChIKey

LDJDTTSBOOJIIL-UHFFFAOYSA-N

Compound name

1-(3-hydroxypropyl)-1,3-diazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 158.10553 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]+	159.112806	136.1
[M+Na]+	181.094748	141.5
[M-H]-	157.098254	133.3
[M+NH4]+	176.139353	152.7
[M+K]+	197.068688	139.2
[M+H-H2O]+	141.102790	129.3
[M+HCOO]-	203.103731	151.9
[M+CH3COO]-	217.119381	170.9
[M+Na-2H]-	179.080196	140.5
[M]+	158.10498142	130.7
[M]-	158.10607858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe