CID 145915665

2402828-65-1

Structural Information

Molecular Formula
C11H16ClN3O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NN=C(S2)CCl
InChI
InChI=1S/C11H16ClN3O2S/c1-11(2,3)17-10(16)15-5-7(6-15)9-14-13-8(4-12)18-9/h7H,4-6H2,1-3H3
InChIKey
TWQPHUZQPPTZKG-UHFFFAOYSA-N
Compound name
tert-butyl 3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0652 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07248 158.8
[M+Na]+ 312.05442 164.7
[M+NH4]+ 307.09902 161.4
[M+K]+ 328.02836 162.2
[M-H]- 288.05792 155.8
[M+Na-2H]- 310.03987 160.0
[M]+ 289.06465 158.1
[M]- 289.06575 158.1
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.