CID 167721273

Tert-butyl n-[1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate

Structural Information

Molecular Formula
C11H18INO3
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(OC2)CI
InChI
InChI=1S/C11H18INO3/c1-9(2,3)16-8(14)13-10-4-11(5-10,6-12)15-7-10/h4-7H2,1-3H3,(H,13,14)
InChIKey
QTVPJZDSLCUGNQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(iodomethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.03314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04042 166.0
[M+Na]+ 362.02236 164.2
[M-H]- 338.02586 161.2
[M+NH4]+ 357.06696 182.0
[M+K]+ 377.99630 172.1
[M+H-H2O]+ 322.03040 157.4
[M+HCOO]- 384.03134 176.9
[M+CH3COO]- 398.04699 202.4
[M+Na-2H]- 360.00781 163.4
[M]+ 339.03259 177.8
[M]- 339.03369 177.8
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.