CID 7131476

873790-25-1

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CCl
InChI
InChI=1S/C11H13ClN2O2/c12-6-10(15)8-5-9(13-7-8)11(16)14-3-1-2-4-14/h5,7,13H,1-4,6H2
InChIKey
VIYHJEYDCBDIDU-UHFFFAOYSA-N
Compound name
2-chloro-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06656 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.073836 155.2
[M+Na]+ 263.055778 161.8
[M-H]- 239.059284 157.6
[M+NH4]+ 258.100383 173.1
[M+K]+ 279.029718 157.7
[M+H-H2O]+ 223.063820 147.9
[M+HCOO]- 285.064761 169.1
[M+CH3COO]- 299.080411 185.1
[M+Na-2H]- 261.041226 153.4
[M]+ 240.06601142 153.3
[M]- 240.06710858 153.3
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.