CID 109437

68516-27-8

Structural Information

Molecular Formula

C₁₀H₂₃N₃O₃

SMILES

CC(CN1CN(CN(C1)CCO)CCO)O

InChI

InChI=1S/C10H23N3O3/c1-10(16)6-13-8-11(2-4-14)7-12(9-13)3-5-15/h10,14-16H,2-9H2,1H3

InChIKey

XBIFZOXZLMRHER-UHFFFAOYSA-N

Compound name

1-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.17393 Da
Monoisotopic Mass: -1.2
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]+	234.18121	158.7
[M+Na]+	256.16315	162.8
[M-H]-	232.16665	153.1
[M+NH4]+	251.20775	170.5
[M+K]+	272.13709	160.3
[M+H-H2O]+	216.17119	150.9
[M+HCOO]-	278.17213	169.6
[M+CH3COO]-	292.18778	185.5
[M+Na-2H]-	254.14860	159.1
[M]+	233.17338	155.0
[M]-	233.17448	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe