CID 137965732

1-(carboxy)pyrrolidin-3-yl acetate

Structural Information

Molecular Formula
C7H10ClNO3
SMILES
CC(=O)OC1CCN(C1)C(=O)Cl
InChI
InChI=1S/C7H10ClNO3/c1-5(10)12-6-2-3-9(4-6)7(8)11/h6H,2-4H2,1H3
InChIKey
ZQEFXNPDAACZOM-UHFFFAOYSA-N
Compound name
(1-carbonochloridoylpyrrolidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03493 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04221 137.7
[M+Na]+ 214.02415 147.1
[M+NH4]+ 209.06875 144.7
[M+K]+ 229.99809 144.8
[M-H]- 190.02765 136.5
[M+Na-2H]- 212.00960 140.3
[M]+ 191.03438 138.5
[M]- 191.03548 138.5
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

No patent data available for this compound.