CID 80672

4,4-diethoxybutan-1-amine

Structural Information

Molecular Formula
C8H19NO2
SMILES
CCOC(CCCN)OCC
InChI
InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3
InChIKey
GFLPSABXBDCMCN-UHFFFAOYSA-N
Compound name
4,4-diethoxybutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1787
Patents

161.14159 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.14887 139.2
[M+Na]+ 184.13081 144.4
[M-H]- 160.13431 138.5
[M+NH4]+ 179.17541 159.5
[M+K]+ 200.10475 144.6
[M+H-H2O]+ 144.13885 133.6
[M+HCOO]- 206.13979 162.1
[M+CH3COO]- 220.15544 182.1
[M+Na-2H]- 182.11626 142.9
[M]+ 161.14104 141.6
[M]- 161.14214 141.6
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