CID 2724820

4,4-diethoxybut-2-yn-1-amine

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(C#CCN)OCC
InChI
InChI=1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-4,7,9H2,1-2H3
InChIKey
CBRSHCWJDOGNRC-UHFFFAOYSA-N
Compound name
4,4-diethoxybut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.1
[M+Na]+ 180.09950 142.0
[M-H]- 156.10300 133.1
[M+NH4]+ 175.14410 152.5
[M+K]+ 196.07344 141.2
[M+H-H2O]+ 140.10754 123.0
[M+HCOO]- 202.10848 151.7
[M+CH3COO]- 216.12413 187.5
[M+Na-2H]- 178.08495 137.6
[M]+ 157.10973 130.4
[M]- 157.11083 130.4
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