CID 118989118

1268810-16-7

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC(C)(C)OC(=O)NC1(CCC1)C#C

InChI

InChI=1S/C11H17NO2/c1-5-11(7-6-8-11)12-9(13)14-10(2,3)4/h1H,6-8H2,2-4H3,(H,12,13)

InChIKey

DLGDOLWJFQBSON-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-ethynylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.12593 Da
Monoisotopic Mass: 1.7
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]+	196.133206	146.8
[M+Na]+	218.115148	153.3
[M-H]-	194.118654	149.3
[M+NH4]+	213.159753	159.9
[M+K]+	234.089088	155.2
[M+H-H2O]+	178.123190	132.5
[M+HCOO]-	240.124131	161.3
[M+CH3COO]-	254.139781	195.7
[M+Na-2H]-	216.100596	150.9
[M]+	195.12538142	149.3
[M]-	195.12647858	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe