CID 3050767

Brn 0918818

Structural Information

Molecular Formula

C₁₁H₁₇N₅O

SMILES

CC1=C(C(=NO1)C)NC(=NC(C)(C)C)NC#N

InChI

InChI=1S/C11H17N5O/c1-7-9(8(2)17-16-7)14-10(13-6-12)15-11(3,4)5/h1-5H3,(H2,13,14,15)

InChIKey

NLEYGFRERMQWEU-UHFFFAOYSA-N

Compound name

2-tert-butyl-1-cyano-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 235.14331 Da
Monoisotopic Mass: 1.8
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]+	236.15059	159.1
[M+Na]+	258.13253	166.9
[M-H]-	234.13603	162.6
[M+NH4]+	253.17713	174.2
[M+K]+	274.10647	167.1
[M+H-H2O]+	218.14057	144.6
[M+HCOO]-	280.14151	179.5
[M+CH3COO]-	294.15716	211.1
[M+Na-2H]-	256.11798	163.4
[M]+	235.14276	155.2
[M]-	235.14386	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.