CID 59061

101858-30-4

Structural Information

Molecular Formula
C16H30N4O2
SMILES
CC(C)(CCCCC(C)(C)NN1C=CCO1)NN2C=CCO2
InChI
InChI=1S/C16H30N4O2/c1-15(2,17-19-11-7-13-21-19)9-5-6-10-16(3,4)18-20-12-8-14-22-20/h7-8,11-12,17-18H,5-6,9-10,13-14H2,1-4H3
InChIKey
BRKIEGSJFRFMKS-UHFFFAOYSA-N
Compound name
2,7-dimethyl-2-N,7-N-bis(5H-1,2-oxazol-2-yl)octane-2,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.23688 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24416 175.3
[M+Na]+ 333.22610 181.0
[M+NH4]+ 328.27070 180.3
[M+K]+ 349.20004 181.8
[M-H]- 309.22960 178.2
[M+Na-2H]- 331.21155 177.8
[M]+ 310.23633 176.6
[M]- 310.23743 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.