CID 12035568

2,5-dihydro-1h-pyrrole-1-carbonyl chloride

Structural Information

Molecular Formula
C5H6ClNO
SMILES
C1C=CCN1C(=O)Cl
InChI
InChI=1S/C5H6ClNO/c6-5(8)7-3-1-2-4-7/h1-2H,3-4H2
InChIKey
DECGMPZXVISYSF-UHFFFAOYSA-N
Compound name
2,5-dihydropyrrole-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.0138 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 123.4
[M+Na]+ 154.00302 132.2
[M-H]- 130.00652 125.5
[M+NH4]+ 149.04762 146.5
[M+K]+ 169.97696 130.1
[M+H-H2O]+ 114.01106 118.3
[M+HCOO]- 176.01200 142.0
[M+CH3COO]- 190.02765 167.6
[M+Na-2H]- 151.98847 128.5
[M]+ 131.01325 123.3
[M]- 131.01435 123.3
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.