CID 3022538

N-(2-aminoethyl)-n-octylethylenediamine

Structural Information

Molecular Formula
C12H29N3
SMILES
CCCCCCCCN(CCN)CCN
InChI
InChI=1S/C12H29N3/c1-2-3-4-5-6-7-10-15(11-8-13)12-9-14/h2-14H2,1H3
InChIKey
NAPBLZKQMLMWHK-UHFFFAOYSA-N
Compound name
N'-(2-aminoethyl)-N'-octylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

215.23615 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.243426 157.8
[M+Na]+ 238.225368 160.1
[M-H]- 214.228874 157.2
[M+NH4]+ 233.269973 175.7
[M+K]+ 254.199308 158.9
[M+H-H2O]+ 198.233410 150.6
[M+HCOO]- 260.234351 181.8
[M+CH3COO]- 274.250001 202.2
[M+Na-2H]- 236.210816 159.4
[M]+ 215.23560142 158.1
[M]- 215.23669858 158.1
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