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

3328
Patents

133.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 125.7
[M+Na]+ 156.018648 133.4
[M-H]- 132.022154 127.5
[M+NH4]+ 151.063253 148.6
[M+K]+ 171.992588 131.6
[M+H-H2O]+ 116.026690 120.5
[M+HCOO]- 178.027631 142.8
[M+CH3COO]- 192.043281 168.0
[M+Na-2H]- 154.004096 129.8
[M]+ 133.02888142 124.1
[M]- 133.02997858 124.1
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

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