CID 138977325

Tert-butyl (3-iodoprop-2-yn-1-yl)carbamate

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]+ 281.99855 154.0
[M+Na]+ 303.98049 155.9
[M-H]- 279.98399 147.8
[M+NH4]+ 299.02509 167.6
[M+K]+ 319.95443 160.1
[M+H-H2O]+ 263.98853 140.3
[M+HCOO]- 325.98947 166.2
[M+CH3COO]- 340.00512 196.5
[M+Na-2H]- 301.96594 146.8
[M]+ 280.99072 147.8
[M]- 280.99182 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.