CID 10616156

Tert-butyl n-(6-iodohexyl)carbamate

Structural Information

Molecular Formula
C11H22INO2
SMILES
CC(C)(C)OC(=O)NCCCCCCI
InChI
InChI=1S/C11H22INO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)
InChIKey
LOAMYYKULCCZAM-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-iodohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

327.06952 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.076796 171.7
[M+Na]+ 350.058738 169.5
[M-H]- 326.062244 164.7
[M+NH4]+ 345.103343 185.2
[M+K]+ 366.032678 174.4
[M+H-H2O]+ 310.066780 162.5
[M+HCOO]- 372.067721 187.5
[M+CH3COO]- 386.083371 200.0
[M+Na-2H]- 348.044186 162.3
[M]+ 327.06897142 172.1
[M]- 327.07006858 172.1
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