CID 3156650

1-(2-chloroethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H10ClNO
SMILES
C1CC(=O)N(C1)CCCl
InChI
InChI=1S/C6H10ClNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2
InChIKey
CWLYHDWHNFLUEI-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

147.04509 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05237 128.0
[M+Na]+ 170.03431 139.2
[M+NH4]+ 165.07891 136.8
[M+K]+ 186.00825 134.5
[M-H]- 146.03781 128.6
[M+Na-2H]- 168.01976 132.6
[M]+ 147.04454 129.8
[M]- 147.04564 129.8
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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