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

79
Patents

130.147 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.15428 132.0
[M+Na]+ 153.13622 137.3
[M-H]- 129.13972 133.0
[M+NH4]+ 148.18082 154.0
[M+K]+ 169.11016 137.8
[M+H-H2O]+ 113.14426 126.4
[M+HCOO]- 175.14520 157.3
[M+CH3COO]- 189.16085 182.7
[M+Na-2H]- 151.12167 137.1
[M]+ 130.14645 132.3
[M]- 130.14755 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

patents stripe