CID 70689

Triethylene amine

Structural Information

Molecular Formula
C6H9N
SMILES
C=CN(C=C)C=C
InChI
InChI=1S/C6H9N/c1-4-7(5-2)6-3/h4-6H,1-3H2
InChIKey
VIJMMQUAJQEELS-UHFFFAOYSA-N
Compound name
N,N-bis(ethenyl)ethenamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3243
Patents

95.0735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 117.7
[M+Na]+ 118.06272 125.1
[M-H]- 94.066224 119.6
[M+NH4]+ 113.10732 141.5
[M+K]+ 134.03666 124.6
[M+H-H2O]+ 78.070760 113.2
[M+HCOO]- 140.07170 143.6
[M+CH3COO]- 154.08735 172.7
[M+Na-2H]- 116.04817 124.5
[M]+ 95.072951 117.4
[M]- 95.074049 117.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe