CID 639785

(e)-ethyl 3-(pyrrolidin-1-yl)acrylate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)/C=C/N1CCCC1
InChI
InChI=1S/C9H15NO2/c1-2-12-9(11)5-8-10-6-3-4-7-10/h5,8H,2-4,6-7H2,1H3/b8-5+
InChIKey
VFFHLZJSZHWXAJ-VMPITWQZSA-N
Compound name
ethyl (E)-3-pyrrolidin-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

169.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.2
[M+Na]+ 192.09950 148.9
[M+NH4]+ 187.14410 147.3
[M+K]+ 208.07344 145.2
[M-H]- 168.10300 139.7
[M+Na-2H]- 190.08495 143.1
[M]+ 169.10973 140.8
[M]- 169.11083 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

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Patent stripe

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