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

140
Patents

327.06952 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07680 171.7
[M+Na]+ 350.05874 169.5
[M-H]- 326.06224 164.7
[M+NH4]+ 345.10334 185.2
[M+K]+ 366.03268 174.4
[M+H-H2O]+ 310.06678 162.5
[M+HCOO]- 372.06772 187.5
[M+CH3COO]- 386.08337 200.0
[M+Na-2H]- 348.04419 162.3
[M]+ 327.06897 172.1
[M]- 327.07007 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