CID 392343

Nsc692622

Structural Information

Molecular Formula
C15H33N3
SMILES
CC(C)N1CCN(CCN(CC1)C(C)C)C(C)C
InChI
InChI=1S/C15H33N3/c1-13(2)16-7-9-17(14(3)4)11-12-18(10-8-16)15(5)6/h13-15H,7-12H2,1-6H3
InChIKey
UUBBDZVLOQSJSB-UHFFFAOYSA-N
Compound name
1,4,7-tri(propan-2-yl)-1,4,7-triazonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

47
Patents

255.26744 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.274716 189.2
[M+Na]+ 278.256658 191.3
[M-H]- 254.260164 189.3
[M+NH4]+ 273.301263 189.5
[M+K]+ 294.230598 189.2
[M+H-H2O]+ 238.264700 180.8
[M+HCOO]- 300.265641 190.3
[M+CH3COO]- 314.281291 191.0
[M+Na-2H]- 276.242106 192.2
[M]+ 255.26689142 189.8
[M]- 255.26798858 189.8
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

patents stripe