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

50647
Patents

200.22525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.23253 153.8
[M+Na]+ 223.21447 156.7
[M-H]- 199.21797 151.7
[M+NH4]+ 218.25907 172.0
[M+K]+ 239.18841 154.1
[M+H-H2O]+ 183.22251 147.3
[M+HCOO]- 245.22345 176.3
[M+CH3COO]- 259.23910 193.8
[M+Na-2H]- 221.19992 156.0
[M]+ 200.22470 153.6
[M]- 200.22580 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.