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

192
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.