CID 85379

16356-33-5

Structural Information

Molecular Formula

C₉H₁₉N₃O₃

SMILES

CCCCN1CN(C(=O)N(C1)CO)CO

InChI

InChI=1S/C9H19N3O3/c1-2-3-4-10-5-11(7-13)9(15)12(6-10)8-14/h13-14H,2-8H2,1H3

InChIKey

DIXQPRZAXALJGY-UHFFFAOYSA-N

Compound name

5-butyl-1,3-bis(hydroxymethyl)-1,3,5-triazinan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 217.14264 Da
Monoisotopic Mass: 0.4
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]+	218.14992	151.9
[M+Na]+	240.13186	161.0
[M+NH4]+	235.17646	156.6
[M+K]+	256.10580	156.9
[M-H]-	216.13536	149.4
[M+Na-2H]-	238.11731	152.9
[M]+	217.14209	151.9
[M]-	217.14319	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe