CID 95119

N,n,n',n'-tetrabutylpropane-1,3-diamine

Structural Information

Molecular Formula
C19H42N2
SMILES
CCCCN(CCCC)CCCN(CCCC)CCCC
InChI
InChI=1S/C19H42N2/c1-5-9-14-20(15-10-6-2)18-13-19-21(16-11-7-3)17-12-8-4/h5-19H2,1-4H3
InChIKey
GFQVCRLEDYPCAB-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrabutylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

298.3348 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.342076 187.2
[M+Na]+ 321.324018 187.6
[M-H]- 297.327524 187.9
[M+NH4]+ 316.368623 203.4
[M+K]+ 337.297958 186.7
[M+H-H2O]+ 281.332060 179.0
[M+HCOO]- 343.333001 209.6
[M+CH3COO]- 357.348651 223.1
[M+Na-2H]- 319.309466 186.1
[M]+ 298.33425142 194.3
[M]- 298.33534858 194.3
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

patents stripe