CID 20065300

2-oxo-1-pyrrolidinecarbonyl chloride

Structural Information

Molecular Formula
C5H6ClNO2
SMILES
C1CC(=O)N(C1)C(=O)Cl
InChI
InChI=1S/C5H6ClNO2/c6-5(9)7-3-1-2-4(7)8/h1-3H2
InChIKey
UMLPONXXJIKBMA-UHFFFAOYSA-N
Compound name
2-oxopyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

147.00871 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.01599 126.5
[M+Na]+ 169.99793 135.4
[M-H]- 146.00143 128.7
[M+NH4]+ 165.04253 149.0
[M+K]+ 185.97187 133.3
[M+H-H2O]+ 130.00597 121.7
[M+HCOO]- 192.00691 144.0
[M+CH3COO]- 206.02256 170.1
[M+Na-2H]- 167.98338 130.0
[M]+ 147.00816 126.1
[M]- 147.00926 126.1
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