CID 11105662

1-(3-chloropropyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H12ClNO
SMILES
C1CC(=O)N(C1)CCCCl
InChI
InChI=1S/C7H12ClNO/c8-4-2-6-9-5-1-3-7(9)10/h1-6H2
InChIKey
LNLIBBYAXDZTNJ-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

161.06075 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 132.5
[M+Na]+ 184.04997 143.5
[M+NH4]+ 179.09457 141.1
[M+K]+ 200.02391 138.5
[M-H]- 160.05347 133.1
[M+Na-2H]- 182.03542 136.9
[M]+ 161.06020 134.2
[M]- 161.06130 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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