CID 3016960

4,8-dodecadiene-1,12-diamine

Structural Information

Molecular Formula
C12H24N2
SMILES
C(CC=CCCC=CCCCN)CN
InChI
InChI=1S/C12H24N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h3-6H,1-2,7-14H2
InChIKey
OUGLNWBGUSNCLT-UHFFFAOYSA-N
Compound name
dodeca-4,8-diene-1,12-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.19395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.201226 151.5
[M+Na]+ 219.183168 155.3
[M-H]- 195.186674 149.7
[M+NH4]+ 214.227773 170.0
[M+K]+ 235.157108 151.5
[M+H-H2O]+ 179.191210 145.3
[M+HCOO]- 241.192151 174.5
[M+CH3COO]- 255.207801 190.7
[M+Na-2H]- 217.168616 153.8
[M]+ 196.19340142 149.8
[M]- 196.19449858 149.8
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

patents stripe