CID 138987542

2305255-29-0

Structural Information

Molecular Formula
C10H15ClN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CCl)C#N
InChI
InChI=1S/C10H15ClN2O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4,6-7H2,1-3H3
InChIKey
LRDBSKQCQSAALG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chloromethyl)-3-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0822 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08948 144.6
[M+Na]+ 253.07142 153.1
[M-H]- 229.07492 147.0
[M+NH4]+ 248.11602 156.8
[M+K]+ 269.04536 154.4
[M+H-H2O]+ 213.07946 130.1
[M+HCOO]- 275.08040 155.7
[M+CH3COO]- 289.09605 201.9
[M+Na-2H]- 251.05687 149.2
[M]+ 230.08165 150.6
[M]- 230.08275 150.6
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.