CID 11073648

Tert-butyl n-(prop-2-yn-1-yl)carbamate

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)(C)OC(=O)NCC#C
InChI
InChI=1S/C8H13NO2/c1-5-6-9-7(10)11-8(2,3)4/h1H,6H2,2-4H3,(H,9,10)
InChIKey
DSPYCWLYGXGJNJ-UHFFFAOYSA-N
Compound name
tert-butyl N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2764
Patents

155.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 136.6
[M+Na]+ 178.08386 145.0
[M-H]- 154.08736 136.4
[M+NH4]+ 173.12846 155.3
[M+K]+ 194.05780 144.5
[M+H-H2O]+ 138.09190 126.1
[M+HCOO]- 200.09284 153.4
[M+CH3COO]- 214.10849 186.9
[M+Na-2H]- 176.06931 141.3
[M]+ 155.09409 132.5
[M]- 155.09519 132.5
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