CID 89167

Methyl 3-(pyrrolidin-1-yl)propanoate

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC(=O)CCN1CCCC1
InChI
InChI=1S/C8H15NO2/c1-11-8(10)4-7-9-5-2-3-6-9/h2-7H2,1H3
InChIKey
JHYKOXJKJHTKTE-UHFFFAOYSA-N
Compound name
methyl 3-pyrrolidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

914
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.9
[M+Na]+ 180.09950 141.5
[M-H]- 156.10300 137.3
[M+NH4]+ 175.14410 157.0
[M+K]+ 196.07344 141.4
[M+H-H2O]+ 140.10754 129.5
[M+HCOO]- 202.10848 156.9
[M+CH3COO]- 216.12413 175.1
[M+Na-2H]- 178.08495 138.9
[M]+ 157.10973 135.1
[M]- 157.11083 135.1
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