CID 10725815

Tert-butyl but-3-yn-1-ylcarbamate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(C)(C)OC(=O)NCCC#C
InChI
InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11)
InChIKey
BWNQTGRBVMERHU-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

169.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.6
[M+Na]+ 192.09950 147.1
[M+NH4]+ 187.14410 141.8
[M+K]+ 208.07344 140.0
[M-H]- 168.10300 129.5
[M+Na-2H]- 190.08495 138.7
[M]+ 169.10973 136.2
[M]- 169.11083 136.2
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