CID 87165727

1,6-hexanediamine, n1,n6-bis(1,2,2-trimethylpropyl)-

Structural Information

Molecular Formula
C18H40N2
SMILES
CC(C(C)(C)C)NCCCCCCNC(C)C(C)(C)C
InChI
InChI=1S/C18H40N2/c1-15(17(3,4)5)19-13-11-9-10-12-14-20-16(2)18(6,7)8/h15-16,19-20H,9-14H2,1-8H3
InChIKey
MORNPDNVUROSRS-UHFFFAOYSA-N
Compound name
N,N'-bis(3,3-dimethylbutan-2-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

225
Patents

284.31915 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.32643 180.1
[M+Na]+ 307.30837 185.4
[M+NH4]+ 302.35297 185.8
[M+K]+ 323.28231 180.5
[M-H]- 283.31187 179.1
[M+Na-2H]- 305.29382 180.6
[M]+ 284.31860 180.4
[M]- 284.31970 180.4
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

patents stripe