CID 104498037

3-ethylpyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CCC1CCN(C1)C(=O)Cl
InChI
InChI=1S/C7H12ClNO/c1-2-6-3-4-9(5-6)7(8)10/h6H,2-5H2,1H3
InChIKey
OCLSSRUKNJWSPN-UHFFFAOYSA-N
Compound name
3-ethylpyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

161.06075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 132.8
[M+Na]+ 184.04997 143.4
[M+NH4]+ 179.09457 141.3
[M+K]+ 200.02391 139.3
[M-H]- 160.05347 133.1
[M+Na-2H]- 182.03542 136.8
[M]+ 161.06020 134.4
[M]- 161.06130 134.4
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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No literature data available for this compound.

Patent stripe

No patent data available for this compound.