CID 3087478

Crl 41337

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CN1CC(CN=C1)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2/c1-13-8-11(7-12-9-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

InChIKey

SWGBNAUJEGUKNT-UHFFFAOYSA-N

Compound name

1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 174.11569 Da
Monoisotopic Mass: 1.2
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]+	175.12297	138.2
[M+Na]+	197.10491	145.1
[M-H]-	173.10841	141.7
[M+NH4]+	192.14951	155.5
[M+K]+	213.07885	142.0
[M+H-H2O]+	157.11295	129.7
[M+HCOO]-	219.11389	158.1
[M+CH3COO]-	233.12954	150.6
[M+Na-2H]-	195.09036	145.3
[M]+	174.11514	134.7
[M]-	174.11624	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe