CID 10406

Octamylamine

Structural Information

Molecular Formula
C13H29N
SMILES
CC(C)CCCC(C)NCCC(C)C
InChI
InChI=1S/C13H29N/c1-11(2)7-6-8-13(5)14-10-9-12(3)4/h11-14H,6-10H2,1-5H3
InChIKey
RRWTWWBIHKIYTH-UHFFFAOYSA-N
Compound name
6-methyl-N-(3-methylbutyl)heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

654
Patents

199.23 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 154.5
[M+Na]+ 222.21922 162.3
[M+NH4]+ 217.26382 161.9
[M+K]+ 238.19316 156.5
[M-H]- 198.22272 154.5
[M+Na-2H]- 220.20467 156.4
[M]+ 199.22945 155.4
[M]- 199.23055 155.4
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