CID 53249943

253176-94-2

Structural Information

Molecular Formula
C9H16INO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CI
InChI
InChI=1S/C9H16INO2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6H2,1-3H3
InChIKey
CJVGFEARJOREHI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(iodomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

297.02258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02986 152.6
[M+Na]+ 320.01180 151.4
[M-H]- 296.01530 148.1
[M+NH4]+ 315.05640 160.6
[M+K]+ 335.98574 159.6
[M+H-H2O]+ 280.01984 138.9
[M+HCOO]- 342.02078 165.7
[M+CH3COO]- 356.03643 194.4
[M+Na-2H]- 317.99725 144.3
[M]+ 297.02203 159.5
[M]- 297.02313 159.5
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