CID 77847

4182-44-9

Structural Information

Molecular Formula
C16H37N3
SMILES
CCCCCCCCCCCCN(CCN)CCN
InChI
InChI=1S/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17)16-13-18/h2-18H2,1H3
InChIKey
BRNPMBFYMPUNSK-UHFFFAOYSA-N
Compound name
N'-(2-aminoethyl)-N'-dodecylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

271.29874 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.30602 175.3
[M+Na]+ 294.28796 175.9
[M-H]- 270.29146 173.9
[M+NH4]+ 289.33256 191.0
[M+K]+ 310.26190 173.8
[M+H-H2O]+ 254.29600 167.3
[M+HCOO]- 316.29694 198.0
[M+CH3COO]- 330.31259 214.3
[M+Na-2H]- 292.27341 174.9
[M]+ 271.29819 177.1
[M]- 271.29929 177.1
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.