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

227
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 181.1
[M+Na]+ 307.30837 182.3
[M-H]- 283.31187 180.0
[M+NH4]+ 302.35297 197.0
[M+K]+ 323.28231 180.9
[M+H-H2O]+ 267.31641 175.3
[M+HCOO]- 329.31735 198.0
[M+CH3COO]- 343.33300 214.3
[M+Na-2H]- 305.29382 181.3
[M]+ 284.31860 182.9
[M]- 284.31970 182.9
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