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]+ 174.068026 130.5
[M+Na]+ 196.049968 139.5
[M-H]- 172.053474 133.0
[M+NH4]+ 191.094573 146.5
[M+K]+ 212.023908 138.8
[M+H-H2O]+ 156.058010 122.4
[M+HCOO]- 218.058951 147.1
[M+CH3COO]- 232.074601 183.1
[M+Na-2H]- 194.035416 136.0
[M]+ 173.06020142 141.5
[M]- 173.06129858 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.