CID 68253866

1427379-82-5

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CCC2=NC(=NC=C2C1)CO

InChI

InChI=1S/C9H12N2O/c12-6-9-10-5-7-3-1-2-4-8(7)11-9/h5,12H,1-4,6H2

InChIKey

OPTAKGUQLQNHTM-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydroquinazolin-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 164.09496 Da
Monoisotopic Mass: 0.6
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]+	165.102236	134.2
[M+Na]+	187.084178	141.6
[M-H]-	163.087684	134.2
[M+NH4]+	182.128783	152.5
[M+K]+	203.058118	138.6
[M+H-H2O]+	147.092220	126.9
[M+HCOO]-	209.093161	151.9
[M+CH3COO]-	223.108811	146.3
[M+Na-2H]-	185.069626	142.5
[M]+	164.09441142	131.0
[M]-	164.09550858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe