CID 68712

Rilmenidine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

C1CC1C(C2CC2)NC3=NCCO3

InChI

InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)

InChIKey

CQXADFVORZEARL-UHFFFAOYSA-N

Compound name

N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 444
References: 3590
Patents: 180.12627 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]+	181.13355	125.0
[M+Na]+	203.11549	136.2
[M+NH4]+	198.16009	133.7
[M+K]+	219.08943	136.7
[M-H]-	179.11899	141.2
[M+Na-2H]-	201.10094	136.3
[M]+	180.12572	133.0
[M]-	180.12682	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe