CID 198097

N-dodecylpropylenediamine

Structural Information

Molecular Formula
C15H34N2
SMILES
CCCCCCCCCCCCNCC(C)N
InChI
InChI=1S/C15H34N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h15,17H,3-14,16H2,1-2H3
InChIKey
DBBZOURVEFUJEW-UHFFFAOYSA-N
Compound name
1-N-dodecylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

242.2722 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.27948 168.4
[M+Na]+ 265.26142 169.9
[M-H]- 241.26492 166.4
[M+NH4]+ 260.30602 185.2
[M+K]+ 281.23536 167.4
[M+H-H2O]+ 225.26946 161.4
[M+HCOO]- 287.27040 189.6
[M+CH3COO]- 301.28605 204.3
[M+Na-2H]- 263.24687 168.7
[M]+ 242.27165 169.8
[M]- 242.27275 169.8
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