CID 469908

N,n'-bis(3,3-dimethyl-2-butyl)-ethylenediamine

Structural Information

Molecular Formula
C14H32N2
SMILES
CC(C(C)(C)C)NCCNC(C)C(C)(C)C
InChI
InChI=1S/C14H32N2/c1-11(13(3,4)5)15-9-10-16-12(2)14(6,7)8/h11-12,15-16H,9-10H2,1-8H3
InChIKey
AOCQHKZHPHCRTK-UHFFFAOYSA-N
Compound name
N,N'-bis(3,3-dimethylbutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.25655 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.26383 162.9
[M+Na]+ 251.24577 165.7
[M-H]- 227.24927 162.6
[M+NH4]+ 246.29037 181.0
[M+K]+ 267.21971 165.3
[M+H-H2O]+ 211.25381 157.8
[M+HCOO]- 273.25475 181.0
[M+CH3COO]- 287.27040 202.3
[M+Na-2H]- 249.23122 165.1
[M]+ 228.25600 163.1
[M]- 228.25710 163.1
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.