CID 223882

N,n'-bis(2,4,4-trimethyl-2-pentyl)-ethylenediamine

Structural Information

Molecular Formula
C18H40N2
SMILES
CC(C)(C)CC(C)(C)NCCNC(C)(C)CC(C)(C)C
InChI
InChI=1S/C18H40N2/c1-15(2,3)13-17(7,8)19-11-12-20-18(9,10)14-16(4,5)6/h19-20H,11-14H2,1-10H3
InChIKey
DCRAECRBHQMGEX-UHFFFAOYSA-N
Compound name
N,N'-bis(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

284.31915 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.32643 177.5
[M+Na]+ 307.30837 180.0
[M-H]- 283.31187 177.0
[M+NH4]+ 302.35297 193.6
[M+K]+ 323.28231 178.7
[M+H-H2O]+ 267.31641 172.9
[M+HCOO]- 329.31735 193.2
[M+CH3COO]- 343.33300 213.8
[M+Na-2H]- 305.29382 182.5
[M]+ 284.31860 179.5
[M]- 284.31970 179.5
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.