CID 62490124

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

Structural Information

Molecular Formula
C7H13ClN2O
SMILES
CN1CCN(C1=O)CCCCl
InChI
InChI=1S/C7H13ClN2O/c1-9-5-6-10(7(9)11)4-2-3-8/h2-6H2,1H3
InChIKey
QBHAQYJNTMNFSK-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-3-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.07164 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07892 137.5
[M+Na]+ 199.06086 146.4
[M-H]- 175.06436 138.0
[M+NH4]+ 194.10546 157.9
[M+K]+ 215.03480 143.5
[M+H-H2O]+ 159.06890 131.3
[M+HCOO]- 221.06984 153.5
[M+CH3COO]- 235.08549 178.8
[M+Na-2H]- 197.04631 140.3
[M]+ 176.07109 138.6
[M]- 176.07219 138.6
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

patents stripe