CID 10488533

115689-67-3

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1CC2(CC3=CN=C(N=C31)N)OCCO2

InChI

InChI=1S/C10H13N3O2/c11-9-12-6-7-5-10(14-3-4-15-10)2-1-8(7)13-9/h6H,1-5H2,(H2,11,12,13)

InChIKey

BVIOGMVHOVSZEI-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinazoline]-2'-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 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]+	208.108046	142.6
[M+Na]+	230.089988	150.2
[M-H]-	206.093494	147.0
[M+NH4]+	225.134593	160.5
[M+K]+	246.063928	149.6
[M+H-H2O]+	190.098030	134.9
[M+HCOO]-	252.098971	159.4
[M+CH3COO]-	266.114621	154.8
[M+Na-2H]-	228.075436	150.6
[M]+	207.10022142	139.1
[M]-	207.10131858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.