CID 69966

1,11-diaminoundecane

Structural Information

Molecular Formula
C11H26N2
SMILES
C(CCCCCN)CCCCCN
InChI
InChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2
InChIKey
KLNPWTHGTVSSEU-UHFFFAOYSA-N
Compound name
undecane-1,11-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18810
Patents

186.2096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.21688 149.4
[M+Na]+ 209.19882 152.7
[M-H]- 185.20232 147.5
[M+NH4]+ 204.24342 168.2
[M+K]+ 225.17276 150.4
[M+H-H2O]+ 169.20686 143.1
[M+HCOO]- 231.20780 172.2
[M+CH3COO]- 245.22345 190.8
[M+Na-2H]- 207.18427 152.1
[M]+ 186.20905 148.8
[M]- 186.21015 148.8
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.