CID 3020377

Ethyl 3-(dimethylamino)butanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCOC(=O)CC(C)N(C)C
InChI
InChI=1S/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3
InChIKey
JKSXUJFHXQYFMR-UHFFFAOYSA-N
Compound name
ethyl 3-(dimethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

159.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.4
[M+Na]+ 182.115148 143.1
[M-H]- 158.118654 139.1
[M+NH4]+ 177.159753 158.8
[M+K]+ 198.089088 145.0
[M+H-H2O]+ 142.123190 132.1
[M+HCOO]- 204.124131 160.8
[M+CH3COO]- 218.139781 185.7
[M+Na-2H]- 180.100596 140.4
[M]+ 159.12538142 140.8
[M]- 159.12647858 140.8
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