CID 2772401

333992-86-2

Structural Information

Molecular Formula

C₁₀H₁₇N₃O

SMILES

CC1=C(C(=NO1)C)CN2CCNCC2

InChI

InChI=1S/C10H17N3O/c1-8-10(9(2)14-12-8)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3

InChIKey

LJPFGGDQLGMPPG-UHFFFAOYSA-N

Compound name

3,5-dimethyl-4-(piperazin-1-ylmethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 195.13716 Da
Monoisotopic Mass: 0.3
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]+	196.14444	145.9
[M+Na]+	218.12638	152.6
[M-H]-	194.12988	147.3
[M+NH4]+	213.17098	161.0
[M+K]+	234.10032	150.6
[M+H-H2O]+	178.13442	137.3
[M+HCOO]-	240.13536	161.8
[M+CH3COO]-	254.15101	180.8
[M+Na-2H]-	216.11183	148.8
[M]+	195.13661	142.5
[M]-	195.13771	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe