CID 207519

30152-60-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

C1CCC2(CC1)NC3=C(CCCC3)C(=O)N2

InChI

InChI=1S/C13H20N2O/c16-12-10-6-2-3-7-11(10)14-13(15-12)8-4-1-5-9-13/h14H,1-9H2,(H,15,16)

InChIKey

JGQPNMRAMGIAJH-UHFFFAOYSA-N

Compound name

spiro[1,3,5,6,7,8-hexahydroquinazoline-2,1'-cyclohexane]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.15756 Da
Monoisotopic Mass: 2.5
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]+	221.16484	154.0
[M+Na]+	243.14678	157.3
[M-H]-	219.15028	153.1
[M+NH4]+	238.19138	170.8
[M+K]+	259.12072	152.1
[M+H-H2O]+	203.15482	145.6
[M+HCOO]-	265.15576	162.9
[M+CH3COO]-	279.17141	162.2
[M+Na-2H]-	241.13223	158.2
[M]+	220.15701	140.9
[M]-	220.15811	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe