CID 137966073

2230802-58-9

Structural Information

Molecular Formula
C12H17ClN2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=C(N=CO2)CCl
InChI
InChI=1S/C12H17ClN2O3/c1-12(2,3)18-11(16)15-5-8(6-15)10-9(4-13)14-7-17-10/h7-8H,4-6H2,1-3H3
InChIKey
LWLVRBUSQDNMEN-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(chloromethyl)-1,3-oxazol-5-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09277 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10005 155.1
[M+Na]+ 295.08199 162.2
[M-H]- 271.08549 159.7
[M+NH4]+ 290.12659 164.1
[M+K]+ 311.05593 163.5
[M+H-H2O]+ 255.09003 143.7
[M+HCOO]- 317.09097 167.9
[M+CH3COO]- 331.10662 197.3
[M+Na-2H]- 293.06744 157.7
[M]+ 272.09222 168.7
[M]- 272.09332 168.7
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

No patent data available for this compound.