CID 3058093

74550-96-2

Structural Information

Molecular Formula

C₁₀H₁₈N₄O

SMILES

CCCC1=C(OC(=N1)N=C(N)N)CCC

InChI

InChI=1S/C10H18N4O/c1-3-5-7-8(6-4-2)15-10(13-7)14-9(11)12/h3-6H2,1-2H3,(H4,11,12,13,14)

InChIKey

AELNGSYDNICUTH-UHFFFAOYSA-N

Compound name

2-(4,5-dipropyl-1,3-oxazol-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 210.14806 Da
Monoisotopic Mass: 1.5
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]+	211.15534	150.8
[M+Na]+	233.13728	157.4
[M-H]-	209.14078	154.3
[M+NH4]+	228.18188	168.4
[M+K]+	249.11122	156.6
[M+H-H2O]+	193.14532	143.0
[M+HCOO]-	255.14626	176.1
[M+CH3COO]-	269.16191	196.9
[M+Na-2H]-	231.12273	153.6
[M]+	210.14751	151.1
[M]-	210.14861	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe