CID 76349

3001-72-7

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CC2=NCCCN2C1

InChI

InChI=1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2

InChIKey

SGUVLZREKBPKCE-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 54368
Patents: 124.10005 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]+	125.10733	125.4
[M+Na]+	147.08927	131.9
[M-H]-	123.09277	126.3
[M+NH4]+	142.13387	147.5
[M+K]+	163.06321	130.5
[M+H-H2O]+	107.09731	118.2
[M+HCOO]-	169.09825	144.3
[M+CH3COO]-	183.11390	138.3
[M+Na-2H]-	145.07472	132.0
[M]+	124.09950	120.7
[M]-	124.10060	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe