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
2
Annotation Hits

8
References

648
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 157.0
[M+Na]+ 222.21922 159.8
[M-H]- 198.22272 156.2
[M+NH4]+ 217.26382 176.1
[M+K]+ 238.19316 159.1
[M+H-H2O]+ 182.22726 151.2
[M+HCOO]- 244.22820 176.4
[M+CH3COO]- 258.24385 195.8
[M+Na-2H]- 220.20467 156.6
[M]+ 199.22945 158.1
[M]- 199.23055 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.