CID 138977325

1927859-34-4

Structural Information

Molecular Formula
C8H12INO2
SMILES
CC(C)(C)OC(=O)NCC#CI
InChI
InChI=1S/C8H12INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h6H2,1-3H3,(H,10,11)
InChIKey
WZLXZPUXDVVUSL-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-iodoprop-2-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.99127 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.998546 154.0
[M+Na]+ 303.980488 155.9
[M-H]- 279.983994 147.8
[M+NH4]+ 299.025093 167.6
[M+K]+ 319.954428 160.1
[M+H-H2O]+ 263.988530 140.3
[M+HCOO]- 325.989471 166.2
[M+CH3COO]- 340.005121 196.5
[M+Na-2H]- 301.965936 146.8
[M]+ 280.99072142 147.8
[M]- 280.99181858 147.8
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

No patent data available for this compound.