CID 65940647

1496189-92-4

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CC(C)C1(CN(C1)CCC#C)O

InChI

InChI=1S/C10H17NO/c1-4-5-6-11-7-10(12,8-11)9(2)3/h1,9,12H,5-8H2,2-3H3

InChIKey

NUIWQHDYCIIOEW-UHFFFAOYSA-N

Compound name

1-but-3-ynyl-3-propan-2-ylazetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.13101 Da
Monoisotopic Mass: 1.1
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]+	168.13829	136.8
[M+Na]+	190.12023	142.7
[M+NH4]+	185.16483	138.5
[M+K]+	206.09417	135.2
[M-H]-	166.12373	126.8
[M+Na-2H]-	188.10568	136.9
[M]+	167.13046	133.0
[M]-	167.13156	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.