CID 135742337

1256784-26-5

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC1(CCC2=C(C1)C(=O)NC=N2)C

InChI

InChI=1S/C10H14N2O/c1-10(2)4-3-8-7(5-10)9(13)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,13)

InChIKey

RWGUWCZFILHUIU-UHFFFAOYSA-N

Compound name

6,6-dimethyl-3,5,7,8-tetrahydroquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 178.11061 Da
Monoisotopic Mass: 1.1
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]+	179.11789	138.1
[M+Na]+	201.09983	147.3
[M-H]-	177.10333	138.8
[M+NH4]+	196.14443	158.3
[M+K]+	217.07377	143.7
[M+H-H2O]+	161.10787	131.5
[M+HCOO]-	223.10881	155.7
[M+CH3COO]-	237.12446	178.3
[M+Na-2H]-	199.08528	146.2
[M]+	178.11006	135.3
[M]-	178.11116	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe