CID 165920557

Tert-butyl n-(4-methoxy-4-methylpent-1-yn-3-yl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC(C#C)C(C)(C)OC
InChI
InChI=1S/C12H21NO3/c1-8-9(12(5,6)15-7)13-10(14)16-11(2,3)4/h1,9H,2-7H3,(H,13,14)
InChIKey
SCGHCCPJRKFBNH-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methoxy-4-methylpent-1-yn-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 157.1
[M+Na]+ 250.141368 164.0
[M-H]- 226.144874 156.7
[M+NH4]+ 245.185973 173.2
[M+K]+ 266.115308 164.2
[M+H-H2O]+ 210.149410 146.5
[M+HCOO]- 272.150351 170.7
[M+CH3COO]- 286.166001 200.7
[M+Na-2H]- 248.126816 159.6
[M]+ 227.15160142 154.6
[M]- 227.15269858 154.6
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

No patent data available for this compound.