CID 3050768

67026-66-8

Structural Information

Molecular Formula
C13H21N5O
SMILES
CC1=C(C(=NO1)C)NC(=NC(C)C(C)(C)C)NC#N
InChI
InChI=1S/C13H21N5O/c1-8-11(9(2)19-18-8)17-12(15-7-14)16-10(3)13(4,5)6/h10H,1-6H3,(H2,15,16,17)
InChIKey
RMJKKFPLXKCMAN-UHFFFAOYSA-N
Compound name
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.17462 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.18190 167.1
[M+Na]+ 286.16384 174.0
[M+NH4]+ 281.20844 169.1
[M+K]+ 302.13778 168.9
[M-H]- 262.16734 161.6
[M+Na-2H]- 284.14929 167.0
[M]+ 263.17407 165.3
[M]- 263.17517 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.