CID 11231463

Tert-butyl n-(3-iodopropyl)carbamate

Structural Information

Molecular Formula
C8H16INO2
SMILES
CC(C)(C)OC(=O)NCCCI
InChI
InChI=1S/C8H16INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChIKey
ORVXNBKOWDNMGB-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-iodopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

285.02258 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.029856 157.1
[M+Na]+ 308.011798 156.1
[M-H]- 284.015304 150.7
[M+NH4]+ 303.056403 172.3
[M+K]+ 323.985738 161.8
[M+H-H2O]+ 268.019840 148.5
[M+HCOO]- 330.020781 174.0
[M+CH3COO]- 344.036431 191.4
[M+Na-2H]- 305.997246 149.3
[M]+ 285.02203142 156.5
[M]- 285.02312858 156.5
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