CID 72218566

1393554-08-9

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CC(C)(C)OC(=O)NCC(C)(C)C#C

InChI

InChI=1S/C11H19NO2/c1-7-11(5,6)8-12-9(13)14-10(2,3)4/h1H,8H2,2-6H3,(H,12,13)

InChIKey

PESPDNXKRKEILP-UHFFFAOYSA-N

Compound name

tert-butyl N-(2,2-dimethylbut-3-ynyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 197.14159 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.148866	150.8
[M+Na]+	220.130808	158.4
[M-H]-	196.134314	150.5
[M+NH4]+	215.175413	168.1
[M+K]+	236.104748	157.8
[M+H-H2O]+	180.138850	140.5
[M+HCOO]-	242.139791	165.4
[M+CH3COO]-	256.155441	195.4
[M+Na-2H]-	218.116256	154.7
[M]+	197.14104142	147.2
[M]-	197.14213858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe