CID 26635

2-ethyl-3-(n-methylamino)hexylamine

Structural Information

Molecular Formula
C9H22N2
SMILES
CCCC(C(CC)CN)NC
InChI
InChI=1S/C9H22N2/c1-4-6-9(11-3)8(5-2)7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKey
AZWUCUNMNBIVQG-UHFFFAOYSA-N
Compound name
2-ethyl-3-N-methylhexane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

158.1783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 142.6
[M+Na]+ 181.16752 146.4
[M-H]- 157.17102 141.9
[M+NH4]+ 176.21212 162.7
[M+K]+ 197.14146 145.9
[M+H-H2O]+ 141.17556 136.9
[M+HCOO]- 203.17650 164.7
[M+CH3COO]- 217.19215 187.0
[M+Na-2H]- 179.15297 144.7
[M]+ 158.17775 141.0
[M]- 158.17885 141.0
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