CID 14774706

1-chloro-2,2,5,5-tetramethylimidazolidin-4-one

Structural Information

Molecular Formula
C7H13ClN2O
SMILES
CC1(C(=O)NC(N1Cl)(C)C)C
InChI
InChI=1S/C7H13ClN2O/c1-6(2)5(11)9-7(3,4)10(6)8/h1-4H3,(H,9,11)
InChIKey
LCWLUUNLZNVFKH-UHFFFAOYSA-N
Compound name
1-chloro-2,2,5,5-tetramethylimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

176.07164 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07892 131.1
[M+Na]+ 199.06086 142.3
[M-H]- 175.06436 131.5
[M+NH4]+ 194.10546 155.2
[M+K]+ 215.03480 139.0
[M+H-H2O]+ 159.06890 127.8
[M+HCOO]- 221.06984 145.9
[M+CH3COO]- 235.08549 176.7
[M+Na-2H]- 197.04631 135.8
[M]+ 176.07109 131.4
[M]- 176.07219 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe