CID 55302229

1-(2-chloroethyl)-5-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CC1CCC(=O)N1CCCl
InChI
InChI=1S/C7H12ClNO/c1-6-2-3-7(10)9(6)5-4-8/h6H,2-5H2,1H3
InChIKey
CJZMWDUPJRYLKR-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.06075 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 133.4
[M+Na]+ 184.04997 142.3
[M-H]- 160.05347 135.4
[M+NH4]+ 179.09457 155.8
[M+K]+ 200.02391 139.4
[M+H-H2O]+ 144.05801 128.4
[M+HCOO]- 206.05895 150.8
[M+CH3COO]- 220.07460 176.1
[M+Na-2H]- 182.03542 136.3
[M]+ 161.06020 134.0
[M]- 161.06130 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.