CID 72207528

Cis-tert-butyl 3-iodocyclobutylcarbamate

Structural Information

Molecular Formula
C9H16INO2
SMILES
CC(C)(C)OC(=O)NC1CC(C1)I
InChI
InChI=1S/C9H16INO2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey
XGEFFDGFPRWHAW-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-iodocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

297.02258 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02986 157.7
[M+Na]+ 320.01180 155.3
[M-H]- 296.01530 154.4
[M+NH4]+ 315.05640 166.3
[M+K]+ 335.98574 163.6
[M+H-H2O]+ 280.01984 143.9
[M+HCOO]- 342.02078 172.6
[M+CH3COO]- 356.03643 196.4
[M+Na-2H]- 317.99725 148.9
[M]+ 297.02203 163.1
[M]- 297.02313 163.1
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

patents stripe