CID 50007

2-octanamine, 5-methyl-

Structural Information

Molecular Formula
C9H21N
SMILES
CCCC(C)CCC(C)N
InChI
InChI=1S/C9H21N/c1-4-5-8(2)6-7-9(3)10/h8-9H,4-7,10H2,1-3H3
InChIKey
JHLSRARFRAZKEV-UHFFFAOYSA-N
Compound name
5-methyloctan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

143.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.17468 138.5
[M+Na]+ 166.15662 143.2
[M-H]- 142.16012 137.9
[M+NH4]+ 161.20122 159.7
[M+K]+ 182.13056 142.8
[M+H-H2O]+ 126.16466 133.4
[M+HCOO]- 188.16560 159.7
[M+CH3COO]- 202.18125 182.1
[M+Na-2H]- 164.14207 140.5
[M]+ 143.16685 137.8
[M]- 143.16795 137.8
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