CID 16244623

939760-47-1

Structural Information

Molecular Formula
C13H19IN2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1I)N
InChI
InChI=1S/C13H19IN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,16,17)
InChIKey
MNFWINJFVYOLGG-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(2-iodophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.04913 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.05641 179.3
[M+Na]+ 385.03835 177.0
[M-H]- 361.04185 175.1
[M+NH4]+ 380.08295 190.6
[M+K]+ 401.01229 181.2
[M+H-H2O]+ 345.04639 168.8
[M+HCOO]- 407.04733 195.3
[M+CH3COO]- 421.06298 207.4
[M+Na-2H]- 383.02380 168.9
[M]+ 362.04858 175.8
[M]- 362.04968 175.8
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.