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

7
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

literature stripe

Patent stripe

patents stripe