CID 13583

Dodecylamine

Structural Information

Molecular Formula
C12H27N
SMILES
CCCCCCCCCCCCN
InChI
InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
InChIKey
JRBPAEWTRLWTQC-UHFFFAOYSA-N
Compound name
dodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

298
References

129823
Patents

185.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.22164 148.4
[M+Na]+ 208.20358 157.2
[M+NH4]+ 203.24818 156.2
[M+K]+ 224.17752 149.5
[M-H]- 184.20708 149.0
[M+Na-2H]- 206.18903 151.3
[M]+ 185.21381 149.6
[M]- 185.21491 149.6
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