CID 20972

4835-11-4

Structural Information

Molecular Formula
C14H32N2
SMILES
CCCCNCCCCCCNCCCC
InChI
InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3
InChIKey
VZRUGPJUVWRHKM-UHFFFAOYSA-N
Compound name
N,N'-dibutylhexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

472
Patents

228.25655 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.26383 162.4
[M+Na]+ 251.24577 164.4
[M-H]- 227.24927 160.9
[M+NH4]+ 246.29037 180.0
[M+K]+ 267.21971 162.1
[M+H-H2O]+ 211.25381 155.5
[M+HCOO]- 273.25475 185.5
[M+CH3COO]- 287.27040 201.2
[M+Na-2H]- 249.23122 165.6
[M]+ 228.25600 165.0
[M]- 228.25710 165.0
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.