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

73
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 139.5
[M+Na]+ 192.09950 145.1
[M-H]- 168.10300 140.8
[M+NH4]+ 187.14410 160.1
[M+K]+ 208.07344 144.1
[M+H-H2O]+ 152.10754 133.0
[M+HCOO]- 214.10848 160.4
[M+CH3COO]- 228.12413 176.5
[M+Na-2H]- 190.08495 142.0
[M]+ 169.10973 138.3
[M]- 169.11083 138.3
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