CID 3087470

Crl 41365

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CC1(NCC(CN1)(C2=CC=CC=C2)O)C

InChI

InChI=1S/C12H18N2O/c1-11(2)13-8-12(15,9-14-11)10-6-4-3-5-7-10/h3-7,13-15H,8-9H2,1-2H3

InChIKey

QGGPUQSNSNOZSM-UHFFFAOYSA-N

Compound name

2,2-dimethyl-5-phenyl-1,3-diazinan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.1419 Da
Monoisotopic Mass: 0.5
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]+	207.149176	149.7
[M+Na]+	229.131118	155.9
[M-H]-	205.134624	149.5
[M+NH4]+	224.175723	167.6
[M+K]+	245.105058	151.3
[M+H-H2O]+	189.139160	143.0
[M+HCOO]-	251.140101	163.6
[M+CH3COO]-	265.155751	159.8
[M+Na-2H]-	227.116566	155.9
[M]+	206.14135142	142.0
[M]-	206.14244858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe