CID 77953

1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC1=NCCCN1C

InChI

InChI=1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3

InChIKey

ZFDWWDZLRKHULH-UHFFFAOYSA-N

Compound name

1,2-dimethyl-5,6-dihydro-4H-pyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4385
Patents: 112.10005 Da
Monoisotopic Mass: -0.2
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]+	113.10733	123.0
[M+Na]+	135.08927	135.7
[M+NH4]+	130.13387	132.0
[M+K]+	151.06321	129.3
[M-H]-	111.09277	124.6
[M+Na-2H]-	133.07472	129.7
[M]+	112.09950	125.2
[M]-	112.10060	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe