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
2
Annotation Hits

0
References

103
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.2
[M+Na]+ 182.115148 143.1
[M-H]- 158.118654 138.7
[M+NH4]+ 177.159753 158.6
[M+K]+ 198.089088 144.5
[M+H-H2O]+ 142.123190 131.8
[M+HCOO]- 204.124131 161.6
[M+CH3COO]- 218.139781 184.8
[M+Na-2H]- 180.100596 141.5
[M]+ 159.12538142 141.2
[M]- 159.12647858 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