CID 17727

1,12-diaminododecane

Structural Information

Molecular Formula
C12H28N2
SMILES
C(CCCCCCN)CCCCCN
InChI
InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
InChIKey
QFTYSVGGYOXFRQ-UHFFFAOYSA-N
Compound name
dodecane-1,12-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

40
References

50969
Patents

200.22525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.232526 153.8
[M+Na]+ 223.214468 156.7
[M-H]- 199.217974 151.7
[M+NH4]+ 218.259073 172.0
[M+K]+ 239.188408 154.1
[M+H-H2O]+ 183.222510 147.3
[M+HCOO]- 245.223451 176.3
[M+CH3COO]- 259.239101 193.8
[M+Na-2H]- 221.199916 156.0
[M]+ 200.22470142 153.6
[M]- 200.22579858 153.6
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