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

23
Patents

158.1783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.185576 142.6
[M+Na]+ 181.167518 146.4
[M-H]- 157.171024 141.9
[M+NH4]+ 176.212123 162.7
[M+K]+ 197.141458 145.9
[M+H-H2O]+ 141.175560 136.9
[M+HCOO]- 203.176501 164.7
[M+CH3COO]- 217.192151 187.0
[M+Na-2H]- 179.152966 144.7
[M]+ 158.17775142 141.0
[M]- 158.17884858 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