CID 130706989

Tert-butyl n-(4-iodo-3-methoxyphenyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.02478 169.4
[M+Na]+ 372.00672 169.6
[M-H]- 348.01022 166.3
[M+NH4]+ 367.05132 182.3
[M+K]+ 387.98066 174.4
[M+H-H2O]+ 332.01476 159.6
[M+HCOO]- 394.01570 186.7
[M+CH3COO]- 408.03135 202.6
[M+Na-2H]- 369.99217 161.3
[M]+ 349.01695 169.8
[M]- 349.01805 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

No patent data available for this compound.