CID 124223008

1449201-22-2

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)(C)OC(=O)NC(C)(C)CC#C
InChI
InChI=1S/C11H19NO2/c1-7-8-11(5,6)12-9(13)14-10(2,3)4/h1H,8H2,2-6H3,(H,12,13)
InChIKey
ZVOUGGBSJKMVLR-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methylpent-4-yn-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.3
[M+Na]+ 220.13081 154.1
[M+NH4]+ 215.17541 149.0
[M+K]+ 236.10475 147.8
[M-H]- 196.13431 136.6
[M+Na-2H]- 218.11626 145.9
[M]+ 197.14104 143.7
[M]- 197.14214 143.7
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.