CID 10760198

194869-15-3

Structural Information

Molecular Formula
C12H16INO3
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC=C1I)OC
InChI
InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-10-8(13)6-5-7-9(10)16-4/h5-7H,1-4H3,(H,14,15)
InChIKey
QZVYQNHTMJZPLS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-iodo-6-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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

literature stripe

Patent stripe

patents stripe