CID 3794578

(2-aminoethyl)(butyl)methylamine

Structural Information

Molecular Formula
C7H18N2
SMILES
CCCCN(C)CCN
InChI
InChI=1S/C7H18N2/c1-3-4-6-9(2)7-5-8/h3-8H2,1-2H3
InChIKey
BCHCXIHUKWIMHC-UHFFFAOYSA-N
Compound name
N'-butyl-N'-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

130.147 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.154276 132.0
[M+Na]+ 153.136218 137.3
[M-H]- 129.139724 133.0
[M+NH4]+ 148.180823 154.0
[M+K]+ 169.110158 137.8
[M+H-H2O]+ 113.144260 126.4
[M+HCOO]- 175.145201 157.3
[M+CH3COO]- 189.160851 182.7
[M+Na-2H]- 151.121666 137.1
[M]+ 130.14645142 132.3
[M]- 130.14754858 132.3
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.