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

3
Patents

157.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.1
[M+Na]+ 180.099498 142.0
[M-H]- 156.103004 133.1
[M+NH4]+ 175.144103 152.5
[M+K]+ 196.073438 141.2
[M+H-H2O]+ 140.107540 123.0
[M+HCOO]- 202.108481 151.7
[M+CH3COO]- 216.124131 187.5
[M+Na-2H]- 178.084946 137.6
[M]+ 157.10973142 130.4
[M]- 157.11082858 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