CID 57541748

Tert-butyl n-(4-iodo-2-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C12H16INO3
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)I)OC
InChI
InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15)
InChIKey
UEMZDSPHGUAIEF-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-iodo-2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

349.0175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.024776 169.4
[M+Na]+ 372.006718 169.6
[M-H]- 348.010224 166.3
[M+NH4]+ 367.051323 182.3
[M+K]+ 387.980658 174.4
[M+H-H2O]+ 332.014760 159.6
[M+HCOO]- 394.015701 186.7
[M+CH3COO]- 408.031351 202.6
[M+Na-2H]- 369.992166 161.3
[M]+ 349.01695142 169.8
[M]- 349.01804858 169.8
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

patents stripe