CID 16244498

Benzyl 3-iodoazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H12INO2
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)I
InChI
InChI=1S/C11H12INO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKey
SNXKRIUJMHHPOB-UHFFFAOYSA-N
Compound name
benzyl 3-iodoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

316.99127 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.99855 150.9
[M+Na]+ 339.98049 149.8
[M-H]- 315.98399 148.7
[M+NH4]+ 335.02509 157.4
[M+K]+ 355.95443 156.5
[M+H-H2O]+ 299.98853 135.2
[M+HCOO]- 361.98947 166.3
[M+CH3COO]- 376.00512 196.0
[M+Na-2H]- 337.96594 143.8
[M]+ 316.99072 156.5
[M]- 316.99182 156.5
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

patents stripe