CID 70937

1-pyrrolidinecarbonyl chloride

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C1CCN(C1)C(=O)Cl
InChI
InChI=1S/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2
InChIKey
XACWJIQLDLUFSR-UHFFFAOYSA-N
Compound name
pyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3244
Patents

133.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 124.4
[M+Na]+ 156.01865 135.1
[M+NH4]+ 151.06325 133.2
[M+K]+ 171.99259 131.1
[M-H]- 132.02215 124.8
[M+Na-2H]- 154.00410 129.1
[M]+ 133.02888 126.0
[M]- 133.02998 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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