CID 138039656

2241131-23-5

Structural Information

Molecular Formula
C8H12ClNO
SMILES
CC1(CN(C1=O)CC=C)CCl
InChI
InChI=1S/C8H12ClNO/c1-3-4-10-6-8(2,5-9)7(10)11/h3H,1,4-6H2,2H3
InChIKey
HVFRHYPHQVYZBP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-3-methyl-1-prop-2-enylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.06075 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06803 130.5
[M+Na]+ 196.04997 139.5
[M-H]- 172.05347 133.0
[M+NH4]+ 191.09457 146.5
[M+K]+ 212.02391 138.8
[M+H-H2O]+ 156.05801 122.4
[M+HCOO]- 218.05895 147.1
[M+CH3COO]- 232.07460 183.1
[M+Na-2H]- 194.03542 136.0
[M]+ 173.06020 141.5
[M]- 173.06130 141.5
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.