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
4
Annotation Hits

8
References

651
Patents

199.23 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.237276 157.0
[M+Na]+ 222.219218 159.8
[M-H]- 198.222724 156.2
[M+NH4]+ 217.263823 176.1
[M+K]+ 238.193158 159.1
[M+H-H2O]+ 182.227260 151.2
[M+HCOO]- 244.228201 176.4
[M+CH3COO]- 258.243851 195.8
[M+Na-2H]- 220.204666 156.6
[M]+ 199.22945142 158.1
[M]- 199.23054858 158.1
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