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

3
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

literature stripe

Patent stripe

patents stripe