CID 11782669

205877-96-9

Structural Information

Molecular Formula
C11H16INO3
SMILES
CC(C)(C)OC(=O)NC1CCC(=O)C(=C1)I
InChI
InChI=1S/C11H16INO3/c1-11(2,3)16-10(15)13-7-4-5-9(14)8(12)6-7/h6-7H,4-5H2,1-3H3,(H,13,15)
InChIKey
CPCNGHYSAZBCFA-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-iodo-4-oxocyclohex-2-en-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02478 164.0
[M+Na]+ 360.00672 163.0
[M-H]- 336.01022 160.5
[M+NH4]+ 355.05132 177.2
[M+K]+ 375.98066 167.9
[M+H-H2O]+ 320.01476 154.7
[M+HCOO]- 382.01570 179.2
[M+CH3COO]- 396.03135 199.6
[M+Na-2H]- 357.99217 154.9
[M]+ 337.01695 160.8
[M]- 337.01805 160.8
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.