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 168.5
[M+Na]+ 286.16384 175.3
[M-H]- 262.16734 171.7
[M+NH4]+ 281.20844 182.4
[M+K]+ 302.13778 175.5
[M+H-H2O]+ 246.17188 153.7
[M+HCOO]- 308.17282 187.4
[M+CH3COO]- 322.18847 217.3
[M+Na-2H]- 284.14929 170.7
[M]+ 263.17407 164.6
[M]- 263.17517 164.6
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.