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 176.7
[M+Na]+ 333.22610 178.8
[M-H]- 309.22960 180.8
[M+NH4]+ 328.27070 188.5
[M+K]+ 349.20004 179.1
[M+H-H2O]+ 293.23414 168.7
[M+HCOO]- 355.23508 193.7
[M+CH3COO]- 369.25073 209.2
[M+Na-2H]- 331.21155 181.2
[M]+ 310.23633 177.6
[M]- 310.23743 177.6
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.