CID 104150

52304-36-6

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCCCN(CCC(=O)OCC)C(=O)C
InChI
InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
InChIKey
VZRKEAFHFMSHCD-UHFFFAOYSA-N
Compound name
ethyl 3-[acetyl(butyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

49
References

5048
Patents

215.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.9
[M+Na]+ 238.14137 157.6
[M-H]- 214.14487 154.0
[M+NH4]+ 233.18597 171.9
[M+K]+ 254.11531 158.6
[M+H-H2O]+ 198.14941 146.8
[M+HCOO]- 260.15035 175.8
[M+CH3COO]- 274.16600 195.1
[M+Na-2H]- 236.12682 154.3
[M]+ 215.15160 158.1
[M]- 215.15270 158.1
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