CID 11094879

124052-92-2

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CC(C)(C)C1=NCC(CN1)O

InChI

InChI=1S/C8H16N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h6,11H,4-5H2,1-3H3,(H,9,10)

InChIKey

FSEACPAVFGLIME-UHFFFAOYSA-N

Compound name

2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 156.12627 Da
Monoisotopic Mass: 0.0
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]+	157.13355	137.7
[M+Na]+	179.11549	144.2
[M-H]-	155.11899	135.7
[M+NH4]+	174.16009	155.0
[M+K]+	195.08943	141.9
[M+H-H2O]+	139.12353	131.8
[M+HCOO]-	201.12447	152.7
[M+CH3COO]-	215.14012	171.9
[M+Na-2H]-	177.10094	143.4
[M]+	156.12572	132.9
[M]-	156.12682	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe