CID 30904

Ethyl 4-(dimethylamino)butanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCOC(=O)CCCN(C)C
InChI
InChI=1S/C8H17NO2/c1-4-11-8(10)6-5-7-9(2)3/h4-7H2,1-3H3
InChIKey
FNOBLETXVSZOGS-UHFFFAOYSA-N
Compound name
ethyl 4-(dimethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.2
[M+Na]+ 182.11515 143.1
[M-H]- 158.11865 138.7
[M+NH4]+ 177.15975 158.6
[M+K]+ 198.08909 144.5
[M+H-H2O]+ 142.12319 131.8
[M+HCOO]- 204.12413 161.6
[M+CH3COO]- 218.13978 184.8
[M+Na-2H]- 180.10060 141.5
[M]+ 159.12538 141.2
[M]- 159.12648 141.2
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